N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C16H18N4O — CID 109297550

IUPACN-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)18-15(21)14-8-9-17-16(19-14)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyMZMHMIJZAUZJCQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds3

About N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109297550) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109297550
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)18-15(21)14-8-9-17-16(19-14)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,18,21)
InChIKeyMZMHMIJZAUZJCQ-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
2-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109302434
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109297550) is N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(N3CCCC3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is MZMHMIJZAUZJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)18-15(21)14-8-9-17-16(19-14)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).