5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine

C12H18ClN3OS — CID 103804863

IUPAC5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
SMILESCCSC1CCCC1Nc1nc(OC)ncc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-3-18-10-6-4-5-9(10)15-11-8(13)7-14-12(16-11)17-2/h7,9-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyVMVMAQOLZRWASL-UHFFFAOYSA-N
MW287.82 g/mol
LogP3.22
Rot. Bonds5

About 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine

5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine (PubChem CID 103804863) has the molecular formula C12H18ClN3OS and a molecular weight of 287.82 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
PubChem CID103804863
Molecular FormulaC12H18ClN3OS
Molecular Weight287.82 g/mol
Exact Mass287.09
IUPAC Name5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine
SMILESCCSC1CCCC1Nc1nc(OC)ncc1Cl
InChIInChI=1S/C12H18ClN3OS/c1-3-18-10-6-4-5-9(10)15-11-8(13)7-14-12(16-11)17-2/h7,9-10H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyVMVMAQOLZRWASL-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
5-chloro-N-(2-cyclopropyloxolan-3-yl)-2-methoxypyrimidin-4-amine
CID 103864060
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688
6-chloro-N-(2-ethylsulfanylcyclopentyl)-4,5-dimethylpyridazin-3-amine
CID 114121957
N-(5-chloro-2-methoxypyrimidin-4-yl)azepan-4-amine
CID 107173705
5-chloro-2-methoxy-N-(thian-3-yl)pyrimidin-4-amine
CID 115733683
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80757851
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114122169
6-ethoxy-N-(2-ethylsulfanylcyclopentyl)pyrazin-2-amine
CID 133378493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine (CID 103804863) is 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine is CCSC1CCCC1Nc1nc(OC)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine?
The InChIKey is VMVMAQOLZRWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3OS/c1-3-18-10-6-4-5-9(10)15-11-8(13)7-14-12(16-11)17-2/h7,9-10H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine?
5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine has a molecular weight of 287.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylsulfanylcyclopentyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 103804863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).