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

C22H24N4O2 — CID 109315206

IUPACN-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)n2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-18(20)25-22-23-10-9-19(26-22)21(27)24-17-12-15(3)11-16(4)13-17/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyKNZVLZBRWZEFOO-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.88
Rot. Bonds6

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

N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109315206) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109315206
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)n2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-18(20)25-22-23-10-9-19(26-22)21(27)24-17-12-15(3)11-16(4)13-17/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyKNZVLZBRWZEFOO-UHFFFAOYSA-N
XLogP4.88
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
N-(3-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317966
N-(2-fluorophenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109316520
2-(4-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317703
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056
N-(3,5-dimethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315229
N-(2-propan-2-yloxyphenyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109317983
N-(3-methylbutyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109311906
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
2-(2,4-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315234
2-(2,5-dichloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315235

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109315206) is N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2ccnc(Nc3ccccc3OC(C)C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is KNZVLZBRWZEFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)28-20-8-6-5-7-18(20)25-22-23-10-9-19(26-22)21(27)24-17-12-15(3)11-16(4)13-17/h5-14H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.88, 6 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-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).