N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide

C13H20N4O — CID 109294728

IUPACN-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-2-8-14-13-15-9-7-11(17-13)12(18)16-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyJVKTZOVJPJOPKF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds5

About N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide

N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109294728) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109294728
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nccc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-2-8-14-13-15-9-7-11(17-13)12(18)16-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyJVKTZOVJPJOPKF-UHFFFAOYSA-N
XLogP1.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109298788
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide (CID 109294728) is N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nccc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is JVKTZOVJPJOPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-8-14-13-15-9-7-11(17-13)12(18)16-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide?
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109294728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).