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

C16H20N4O — CID 109295146

IUPACN-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(NC(C)C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11(2)19-16-17-9-8-14(20-16)15(21)18-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyQPAMSMAMVZEWPG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 109295146) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID109295146
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(NC(C)C)n2)cc1
InChIInChI=1S/C16H20N4O/c1-11(2)19-16-17-9-8-14(20-16)15(21)18-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20)
InChIKeyQPAMSMAMVZEWPG-UHFFFAOYSA-N
XLogP2.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109297102
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
2-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304602
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
2-[benzyl(propan-2-yl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304614
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
2-(3,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307649
N,N-diethyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109295192
2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
2-[(4-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304314

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 109295146) is N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(NC(C)C)n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is QPAMSMAMVZEWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)19-16-17-9-8-14(20-16)15(21)18-10-13-6-4-12(3)5-7-13/h4-9,11H,10H2,1-3H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-[(4-methylphenyl)methyl]-2-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 5 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-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).