N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide

C15H17N3O2 — CID 53014357

IUPACN-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19)
InChIKeyRXNFYATYRMASRY-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide

N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide (PubChem CID 53014357) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
PubChem CID53014357
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19)
InChIKeyRXNFYATYRMASRY-UHFFFAOYSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-4-methyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 53080190
N-(5-chloro-2-methylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53337921
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377
N-(2,3-dimethylphenyl)-2-methoxypyridine-4-carboxamide
CID 110857659
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide (CID 53014357) is N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide is COc1ncc(C(=O)Nc2cccc(C)c2C)c(C)n1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
The InChIKey is RXNFYATYRMASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-6-5-7-13(10(9)2)18-14(19)12-8-16-15(20-4)17-11(12)3/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 53014357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).