2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide

C18H22N4O — CID 109249729

IUPAC2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)10-19-17(23)15-11-20-18(21-12-15)22-16-8-4-5-9-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyAFZPADOFLVCQBY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds5

About 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide

2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109249729) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109249729
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cnc(NC2CCCC2)nc1
InChIInChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)10-19-17(23)15-11-20-18(21-12-15)22-16-8-4-5-9-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyAFZPADOFLVCQBY-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109247554
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109249729) is 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccccc1CNC(=O)c1cnc(NC2CCCC2)nc1.
What is the InChIKey of 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is AFZPADOFLVCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-2-3-7-14(13)10-19-17(23)15-11-20-18(21-12-15)22-16-8-4-5-9-16/h2-3,6-7,11-12,16H,4-5,8-10H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).