6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109334845

IUPAC6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-12-8-7-11-18(20)25-22-23-16(4)13-19(26-22)21(27)24-17-10-6-5-9-15(17)3/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyBJYSVWPQHYLGHH-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.88
Rot. Bonds6

About 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 109334845) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID109334845
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C)nc(Nc2ccccc2OC(C)C)n1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-12-8-7-11-18(20)25-22-23-16(4)13-19(26-22)21(27)24-17-10-6-5-9-15(17)3/h5-14H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyBJYSVWPQHYLGHH-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

Analyze 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109313745
2-(2,4-difluoroanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337718
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336648
2-hydrazinyl-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 114220571
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
N-(4-ethylphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334736
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 109334845) is 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C)nc(Nc2ccccc2OC(C)C)n1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is BJYSVWPQHYLGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)28-20-12-8-7-11-18(20)25-22-23-16(4)13-19(26-22)21(27)24-17-10-6-5-9-15(17)3/h5-14H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
6-methyl-N-(2-methylphenyl)-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 6-methyl-N-(2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).