2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one

C11H9Cl2N3O — CID 822151

IUPAC2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one
SMILESNc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)6-16-10(17)5-9(13)15-11(16)14/h1-5H,6H2,(H2,14,15)
InChIKeyNELUVTYRHPDFJI-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.18
Rot. Bonds2

About 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one

2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one (PubChem CID 822151) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one
PubChem CID822151
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one
SMILESNc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)6-16-10(17)5-9(13)15-11(16)14/h1-5H,6H2,(H2,14,15)
InChIKeyNELUVTYRHPDFJI-UHFFFAOYSA-N
XLogP2.18
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one (CID 822151) is 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one is Nc1nc(Cl)cc(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one?
The InChIKey is NELUVTYRHPDFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-3-1-7(2-4-8)6-16-10(17)5-9(13)15-11(16)14/h1-5H,6H2,(H2,14,15).
What are the key properties of 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one?
2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one has a molecular weight of 270.12 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-3-[(4-chlorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 822151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).