6-Amino-2-imino-4-(2-methyl-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol
Basic information
- CAS
83540-26-5- Standard SMILES
CC1COC2(CCN(c3cc(N)n(O)c(=N)n3)CC2)O1- InChIKey
RDAGQFSZPJHSQZ-UHFFFAOYSA-N- Molecular formula
- C12H19N5O3
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.14878949
Names & identifiers
- Preferred name
- 6-Amino-2-imino-4-(2-methyl-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol
- IUPAC
- 3-hydroxy-2-imino-6-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
Names & synonyms
83540-26-5DTXSID3010035436-Amino-2-imino-4-(2-methyl-1,4-dioxa-8-azaspiro(4.5)decan-8-yl)pyrimidin-1(2H)-ol6-Amino-2-imino-4-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-1(2H)-olRefChem:1073780DTXCID6014304541,4-Dioxa-8-azaspiro(4.5)decane, 8-(2,6-diamino-4-pyrimidinyl)-2-methyl-, 1'-oxide8-(2,6-Diamino-4-pyrimidinyl)-2-methyl-1,4-dioxa-8-azaspiro(4.5)decane 1'-oxide
Database identifiers
- CAS
83540-26-5- PubChem CID
- 55043
- DTXSID
DTXSID301003543- Nikkaji
- J76.220B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 481
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Compound notes
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