N-(4-Methoxyphenyl)-2,6-di-1-pyrrolidinyl-4-pyrimidinamine

HCID 54075777

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Basic information

CAS: 157014-30-7
Standard SMILES: COc1ccc(Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
InChIKey: MJOKAPYCRZNUEC-UHFFFAOYSA-N
Molecular formula: C19H25N5O
Average molar mass: 339.4 g/mol
Monoisotopic mass: 339.20591042

Names & identifiers

Preferred name: N-(4-Methoxyphenyl)-2,6-di-1-pyrrolidinyl-4-pyrimidinamine
IUPAC: N-(4-methoxyphenyl)-2,6-dipyrrolidin-1-ylpyrimidin-4-amine

Names & synonyms

MJOKAPYCRZNUEC-UHFFFAOYSA-NDTXSID301194794N-(4-Methoxyphenyl)-2,6-di-1-pyrrolidinyl-4-pyrimidinamine157014-30-7N-(4'-Methoxyphenyl)-2,6-di-1-pyrrolidinyl-4-pyrimidinamineN-(4-Methoxyphenyl)-2,6-di(pyrrolidin-1-yl)pyrimidin-4-amine

Database identifiers

CAS: 157014-30-7
PubChem CID: 54075777
DTXSID: DTXSID301194794

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 53.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 403

Related reactions

1 records

New reaction record

HRID 1441138As productuspto-grants-1996_03

Compound notes

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