N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide

C14H15N3O2 — CID 53337925

IUPACN-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-12(6-10(9)2)17-13(18)11-7-15-14(19-3)16-8-11/h4-8H,1-3H3,(H,17,18)
InChIKeyPQJLSMWZYCZHBW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.35
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide (PubChem CID 53337925) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
PubChem CID53337925
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-12(6-10(9)2)17-13(18)11-7-15-14(19-3)16-8-11/h4-8H,1-3H3,(H,17,18)
InChIKeyPQJLSMWZYCZHBW-UHFFFAOYSA-N
XLogP2.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 53337924
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
N-(3-ethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 139482087
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(3,4-dimethylphenyl)-6-(2-methoxy-5-propan-2-ylphenyl)pyridine-3-carboxamide
CID 58639352
N-(3,4-dimethylphenyl)-6-(5-fluoro-2-methoxyphenyl)pyridine-3-carboxamide
CID 58639554
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
methyl 4-[[6-(3,4-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162644
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide (CID 53337925) is N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide is COc1ncc(C(=O)Nc2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide?
The InChIKey is PQJLSMWZYCZHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-5-12(6-10(9)2)17-13(18)11-7-15-14(19-3)16-8-11/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 53337925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).