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

C20H26N4O — CID 109256112

IUPAC2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyMZIYWXIAUUHFSI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.85
Rot. Bonds5

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

2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256112) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256112
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NC3CCCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyMZIYWXIAUUHFSI-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20889227
2-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256133
N-butyl-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109248050
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53010659
2-(3,5-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256132
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(butylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109248261

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide (CID 109256112) is 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(NC3CCCCCC3)nc2)cc1.
What is the InChIKey of 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is MZIYWXIAUUHFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-8-10-16(11-9-15)12-21-19(25)17-13-22-20(23-14-17)24-18-6-4-2-3-5-7-18/h8-11,13-14,18H,2-7,12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).