N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide

C13H12ClN3O2 — CID 114053555

IUPACN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-4-3-5-9(6-8)12(18)17-13-15-10(14)7-11(16-13)19-2/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFZBYRNKXLWOXAG-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.70
Rot. Bonds3

About N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide

N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide (PubChem CID 114053555) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
PubChem CID114053555
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide
SMILESCOc1cc(Cl)nc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C13H12ClN3O2/c1-8-4-3-5-9(6-8)12(18)17-13-15-10(14)7-11(16-13)19-2/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFZBYRNKXLWOXAG-UHFFFAOYSA-N
XLogP2.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-3-methylbenzamide
CID 58205145
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylthiophene-2-carboxamide
CID 114053499
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
N-[6-(diethylamino)-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]-3-methylbenzamide
CID 58205211
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide?
The IUPAC name of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide (CID 114053555) is N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide.
What is the SMILES notation for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide?
The canonical SMILES for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide is COc1cc(Cl)nc(NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide?
The InChIKey is FZBYRNKXLWOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-4-3-5-9(6-8)12(18)17-13-15-10(14)7-11(16-13)19-2/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide?
N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylbenzamide is sourced from PubChem (CID 114053555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).