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

C20H20N4O2 — CID 109267159

IUPACN-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C20H20N4O2/c1-13-7-6-9-16(14(13)2)23-19(25)15-11-21-20(22-12-15)24-17-8-4-5-10-18(17)26-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyRVQKMCSGZZUETO-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.10
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109267159) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
PubChem CID109267159
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
SMILESCOc1ccccc1Nc1ncc(C(=O)Nc2cccc(C)c2C)cn1
InChIInChI=1S/C20H20N4O2/c1-13-7-6-9-16(14(13)2)23-19(25)15-11-21-20(22-12-15)24-17-8-4-5-10-18(17)26-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyRVQKMCSGZZUETO-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

N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267230
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
N-(2-methoxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109269429
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267158
2-N-(2,3-dimethylphenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092159
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194
2-(4-chloroanilino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268879
N-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide (CID 109267159) is N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is COc1ccccc1Nc1ncc(C(=O)Nc2cccc(C)c2C)cn1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is RVQKMCSGZZUETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-6-9-16(14(13)2)23-19(25)15-11-21-20(22-12-15)24-17-8-4-5-10-18(17)26-3/h4-12H,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide?
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-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-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).