2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one

C10H6ClF2N3O — CID 135480650

IUPAC2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccc(F)c2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C10H6ClF2N3O/c11-6-8(15-10(14)16-9(6)17)4-2-1-3-5(12)7(4)13/h1-3H,(H3,14,15,16,17)
InChIKeyURZJSUAABZSCNJ-UHFFFAOYSA-N
MW257.63 g/mol
LogP1.95
Rot. Bonds1

About 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one

2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one (PubChem CID 135480650) has the molecular formula C10H6ClF2N3O and a molecular weight of 257.63 g/mol. Its IUPAC name is 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one
PubChem CID135480650
Molecular FormulaC10H6ClF2N3O
Molecular Weight257.63 g/mol
Exact Mass257.02
IUPAC Name2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2cccc(F)c2F)c(Cl)c(=O)[nH]1
InChIInChI=1S/C10H6ClF2N3O/c11-6-8(15-10(14)16-9(6)17)4-2-1-3-5(12)7(4)13/h1-3H,(H3,14,15,16,17)
InChIKeyURZJSUAABZSCNJ-UHFFFAOYSA-N
XLogP1.95
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.63
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118852455
2,4,6-tris(2,3-difluorophenyl)-3,5-difluoropyridine
CID 133089036
2-amino-5-fluoro-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 135724995
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
5-chloro-2,3-bis(2,3-difluorophenyl)pyridine
CID 133087890
6-(2,3-difluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 59226502
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
2-amino-5-(3-chlorophenyl)-7-(4-chlorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135949024
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-amine
CID 62648681
2-amino-8-(3-bromo-2-fluorophenyl)-1,7-dihydropurin-6-one
CID 136790568

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one (CID 135480650) is 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one is Nc1nc(-c2cccc(F)c2F)c(Cl)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is URZJSUAABZSCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O/c11-6-8(15-10(14)16-9(6)17)4-2-1-3-5(12)7(4)13/h1-3H,(H3,14,15,16,17).
What are the key properties of 2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one?
2-amino-5-chloro-4-(2,3-difluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 257.63 g/mol, XLogP of 1.95, 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-(2,3-difluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135480650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).