5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine

C11H16ClN3S — CID 103724876

IUPAC5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
SMILESCCSC1CCC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C11H16ClN3S/c1-2-16-10-4-3-9(5-10)15-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyRJCQEZQJUKIHBM-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.22
Rot. Bonds4

About 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine

5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine (PubChem CID 103724876) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
PubChem CID103724876
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
SMILESCCSC1CCC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C11H16ClN3S/c1-2-16-10-4-3-9(5-10)15-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3,(H,13,14,15)
InChIKeyRJCQEZQJUKIHBM-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine
CID 103704815
5-chloro-4-N-(3-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114124204
N-(3-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103704805
N-(3-ethylsulfanylcyclopentyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103704832
5-bromo-N-(3-ethylsulfanylcyclopentyl)pyridin-2-amine
CID 103704828
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
4-chloro-5-[(3-ethylsulfanylcyclopentyl)amino]-2-methylpyridazin-3-one
CID 103704876
5-chloro-2-[(3-ethylsulfanylcyclopentyl)amino]benzonitrile
CID 103704814
N-(3-ethylsulfanylcyclopentyl)-2-methylpyrimidin-4-amine
CID 103704839
5-chloro-N-(3,5-dimethylcyclohexyl)pyrimidin-2-amine
CID 79557581
4-N-tert-butyl-1-N-(5-chloropyrimidin-2-yl)cyclohexane-1,4-diamine
CID 155222929
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine (CID 103724876) is 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine is CCSC1CCC(Nc2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine?
The InChIKey is RJCQEZQJUKIHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-2-16-10-4-3-9(5-10)15-11-13-6-8(12)7-14-11/h6-7,9-10H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine?
5-chloro-N-(3-ethylsulfanylcyclopentyl)pyrimidin-2-amine has a molecular weight of 257.79 g/mol, XLogP of 3.22, 4 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)pyrimidin-2-amine is sourced from PubChem (CID 103724876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).