N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

C22H24N4O — CID 109256139

IUPACN-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)19-6-4-5-7-20(19)26-22-24-13-18(14-25-22)21(27)23-12-17-10-8-16(3)9-11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyQEAUXWQGPUFXCD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.58
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide

N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109256139) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
PubChem CID109256139
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)cc1
InChIInChI=1S/C22H24N4O/c1-15(2)19-6-4-5-7-20(19)26-22-24-13-18(14-25-22)21(27)23-12-17-10-8-16(3)9-11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyQEAUXWQGPUFXCD-UHFFFAOYSA-N
XLogP4.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
N-[(2-methoxyphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109257821
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
N-(3-phenylpropyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262614
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
2-[2,6-di(propan-2-yl)anilino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259214
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
N-tert-butyl-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109262867
2-(2,6-diethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256142
N-(3-methylphenyl)-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109265491
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide (CID 109256139) is N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(Nc3ccccc3C(C)C)nc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is QEAUXWQGPUFXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)19-6-4-5-7-20(19)26-22-24-13-18(14-25-22)21(27)23-12-17-10-8-16(3)9-11-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide?
N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).