N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109357562

IUPACN-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-20-12-19(22-13-23-20)21(26)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyFZJSPRVWBABQJZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds6

About N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109357562) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109357562
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ncn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-20-12-19(22-13-23-20)21(26)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyFZJSPRVWBABQJZ-UHFFFAOYSA-N
XLogP4.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(4-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357593
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357578
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(2,4-difluoroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358958
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(4-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109357676
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
6-(2-fluoroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357645
6-(butan-2-ylamino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109340698

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109357562) is N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccccc3C(C)C)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is FZJSPRVWBABQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)25-20-12-19(22-13-23-20)21(26)24-15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).