2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one

C10H8ClN3O — CID 135480622

IUPAC2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKeyVOSRRSSOXKZTFS-UHFFFAOYSA-N
MW221.65 g/mol
LogP1.67
Rot. Bonds1

About 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one

2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135480622) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one
PubChem CID135480622
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)c(Cl)c(=O)[nH]1
InChIInChI=1S/C10H8ClN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKeyVOSRRSSOXKZTFS-UHFFFAOYSA-N
XLogP1.67
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one (CID 135480622) is 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)c(Cl)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is VOSRRSSOXKZTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15).
What are the key properties of 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one?
2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 221.65 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135480622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).