N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide

C15H17N3O3 — CID 110860509

IUPACN-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(17-10(2)16-9)15(19)18-12-8-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyAPDJRZWTWVCNAY-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.36
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110860509) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110860509
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(17-10(2)16-9)15(19)18-12-8-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3,(H,18,19)
InChIKeyAPDJRZWTWVCNAY-UHFFFAOYSA-N
XLogP2.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(diethylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109373337
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
N-(2,5-dimethoxyphenyl)-6-(2,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848850
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110860509) is N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(C)nc(C)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is APDJRZWTWVCNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-13(17-10(2)16-9)15(19)18-12-8-11(20-3)5-6-14(12)21-4/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110860509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).