2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

C12H10Cl2N4O2 — CID 135909407

IUPAC2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2N4O2/c1-6-10(14)12(20)18-11(16-6)8-3-2-7(5-15-8)17-9(19)4-13/h2-3,5H,4H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyHXFVVJQIUYONTQ-UHFFFAOYSA-N
MW313.14 g/mol
LogP1.97
Rot. Bonds3

About 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide

2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (PubChem CID 135909407) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
PubChem CID135909407
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide
SMILESCc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cl
InChIInChI=1S/C12H10Cl2N4O2/c1-6-10(14)12(20)18-11(16-6)8-3-2-7(5-15-8)17-9(19)4-13/h2-3,5H,4H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyHXFVVJQIUYONTQ-UHFFFAOYSA-N
XLogP1.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
2-chloro-N-(6-cyanopyridin-3-yl)propanamide
CID 25141337
6-Methyl-3-(2-pyridinyl)-1,2,4-triazin-5(2H)-one
CID 135441872
2-(2-Pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135409931
6-Amino-2-(pyridin-2-yl)pyrimidin-4(3H)-one
CID 135482584
2-Chloro-n-(6-(4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl)pyridin-3-yl)acetamide
CID 135909410
1,5-Naphthyridin-2-ol
CID 589680
5-but-3-en-2-yl-4-propyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135418974
N-(4-oxo-2-pyridin-2-yl-1H-pyrimidin-6-yl)acetamide
CID 135419016
2-Chloro-n-(6-(4-(chloromethyl)-6-hydroxypyrimidin-2-yl)pyridin-3-yl)acetamide
CID 135909409
2-(5-Aminopyridin-2-yl)-6-(chloromethyl)pyrimidin-4-ol
CID 135909413
2-Chloro-N-(6-(5-ethyl-4-hydroxy-6-methylpyrimidin-2-yl)pyridin-3yl)acetamide
CID 135909416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide (CID 135909407) is 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is Cc1nc(-c2ccc(NC(=O)CCl)cn2)[nH]c(=O)c1Cl.
What is the InChIKey of 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
The InChIKey is HXFVVJQIUYONTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-6-10(14)12(20)18-11(16-6)8-3-2-7(5-15-8)17-9(19)4-13/h2-3,5H,4H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide?
2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide has a molecular weight of 313.14 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(5-chloro-4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 135909407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).