5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H22ClN3OS — CID 103709475

IUPAC5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)C1
InChIInChI=1S/C15H22ClN3OS/c1-4-21-11-6-5-10(7-11)18-15(20)13-12(16)8-17-14(19-13)9(2)3/h8-11H,4-7H2,1-3H3,(H,18,20)
InChIKeyYYLGIYBJDQREEW-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.66
Rot. Bonds5

About 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103709475) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103709475
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCSC1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)C1
InChIInChI=1S/C15H22ClN3OS/c1-4-21-11-6-5-10(7-11)18-15(20)13-12(16)8-17-14(19-13)9(2)3/h8-11H,4-7H2,1-3H3,(H,18,20)
InChIKeyYYLGIYBJDQREEW-UHFFFAOYSA-N
XLogP3.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786
5-chloro-N-piperidin-4-yl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119386084
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79192824

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 103709475) is 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide is CCSC1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)C1.
What is the InChIKey of 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YYLGIYBJDQREEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-4-21-11-6-5-10(7-11)18-15(20)13-12(16)8-17-14(19-13)9(2)3/h8-11H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 327.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103709475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).