5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H22ClN3O — CID 47459372

IUPAC5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCC2CCCC2)n1
InChIInChI=1S/C15H22ClN3O/c1-10(2)14-18-9-12(16)13(19-14)15(20)17-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyZDXPCJNSTCUBDS-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 47459372) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID47459372
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCC2CCCC2)n1
InChIInChI=1S/C15H22ClN3O/c1-10(2)14-18-9-12(16)13(19-14)15(20)17-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,20)
InChIKeyZDXPCJNSTCUBDS-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
cis-(1R,2S)-2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97320175
5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119386084
cyclohexylmethyl 5-chloro-2-propan-2-ylpyrimidine-4-carboxylate
CID 62046991
5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 107847429
5-chloro-2-propan-2-yl-N-[[(2R)-thiolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 97085857

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 47459372) is 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)NCCC2CCCC2)n1.
What is the InChIKey of 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZDXPCJNSTCUBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10(2)14-18-9-12(16)13(19-14)15(20)17-8-7-11-5-3-4-6-11/h9-11H,3-8H2,1-2H3,(H,17,20).
What are the key properties of 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 47459372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).