N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C21H22N4O — CID 109265491

IUPACN-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)c1
InChIInChI=1S/C21H22N4O/c1-14(2)18-9-4-5-10-19(18)25-21-22-12-16(13-23-21)20(26)24-17-8-6-7-15(3)11-17/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyYNVBHAXJTIPKFO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.90
Rot. Bonds5

About N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109265491) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109265491
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)c1
InChIInChI=1S/C21H22N4O/c1-14(2)18-9-4-5-10-19(18)25-21-22-12-16(13-23-21)20(26)24-17-8-6-7-15(3)11-17/h4-14H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyYNVBHAXJTIPKFO-UHFFFAOYSA-N
XLogP4.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267863
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2-chloroanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267813
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256139

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109265491) is N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is YNVBHAXJTIPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)18-9-4-5-10-19(18)25-21-22-12-16(13-23-21)20(26)24-17-8-6-7-15(3)11-17/h4-14H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).