N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109315201

IUPACN-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)22-19(25)18-7-8-21-20(24-18)23-15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyFOQCPRJXCMHULO-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109315201) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109315201
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)22-19(25)18-7-8-21-20(24-18)23-15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyFOQCPRJXCMHULO-UHFFFAOYSA-N
XLogP4.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109317648
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109315201) is N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)Nc3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is FOQCPRJXCMHULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-9-14(2)11-16(10-13)22-19(25)18-7-8-21-20(24-18)23-15-5-4-6-17(12-15)26-3/h4-12H,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).