N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

C18H22N4O — CID 109249542

IUPACN-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-6-8-14(9-7-13)10-19-18-20-11-15(12-21-18)17(23)22-16-4-2-3-5-16/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyLHICYMDIUZWDCX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.07
Rot. Bonds5

About N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109249542) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109249542
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H22N4O/c1-13-6-8-14(9-7-13)10-19-18-20-11-15(12-21-18)17(23)22-16-4-2-3-5-16/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyLHICYMDIUZWDCX-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

N-cycloheptyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256246
2-(cycloheptylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256112
N-cyclohexyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109250312
N-cyclohexyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109250278
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
N-cyclooctyl-4-methylbenzamide
CID 3995245
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109249542) is N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)NC3CCCC3)cn2)cc1.
What is the InChIKey of N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LHICYMDIUZWDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-6-8-14(9-7-13)10-19-18-20-11-15(12-21-18)17(23)22-16-4-2-3-5-16/h6-9,11-12,16H,2-5,10H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-cyclopentyl-2-[(4-methylphenyl)methylamino]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 N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109249542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).