3-benzyl-6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione

HCID 18936744
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Basic information

Standard SMILES
CC(C)c1c(Cl)[nH]c(=O)n(Cc2ccccc2)c1=O
InChIKey
WOCVGGBWDPWLHI-UHFFFAOYSA-N
Molecular formula
C14H15ClN2O2
Average molar mass
278.73 g/mol

Names & identifiers

Preferred name
3-benzyl-6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione
IUPAC
3-benzyl-6-chloro-5-propan-2-yl-1H-pyrimidine-2,4-dione

Names & synonyms

SCHEMBL7844750WOCVGGBWDPWLHI-UHFFFAOYSA-N3-benzyl-6-chloro-5-isopropylpyrimidine-2,4(1H,3H)-dione

Database identifiers

PubChem CID
18936744

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
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Compound notes

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