[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol

C12H19N3OS — CID 79647631

IUPAC[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
SMILESCNC1(CO)CCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C12H19N3OS/c1-9-6-14-11(15-7-9)17-10-3-4-12(5-10,8-16)13-2/h6-7,10,13,16H,3-5,8H2,1-2H3
InChIKeyXWHYZMJUEAAGPJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.38
Rot. Bonds4

About [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol

[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol (PubChem CID 79647631) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
PubChem CID79647631
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol
SMILESCNC1(CO)CCC(Sc2ncc(C)cn2)C1
InChIInChI=1S/C12H19N3OS/c1-9-6-14-11(15-7-9)17-10-3-4-12(5-10,8-16)13-2/h6-7,10,13,16H,3-5,8H2,1-2H3
InChIKeyXWHYZMJUEAAGPJ-UHFFFAOYSA-N
XLogP1.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxylic acid
CID 79654188
[1-(methylamino)-3-propan-2-ylsulfanylcyclopentyl]methanol
CID 79645826
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
1-amino-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79635477
[1-(methylamino)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640843
[1-(methylamino)-3-(1-methylimidazol-2-yl)sulfanylcyclohexyl]methanol
CID 79640071
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
[3-(1H-benzimidazol-2-ylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79645068
[3-(4-methylpyrimidin-2-yl)sulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79647604
1-(ethylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxamide
CID 79635146
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclopentyl]methanol
CID 107764767
[3-(cyclopentylmethylsulfanyl)-1-(methylamino)cyclopentyl]methanol
CID 79644808

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol (CID 79647631) is [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol is CNC1(CO)CCC(Sc2ncc(C)cn2)C1.
What is the InChIKey of [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol?
The InChIKey is XWHYZMJUEAAGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-6-14-11(15-7-9)17-10-3-4-12(5-10,8-16)13-2/h6-7,10,13,16H,3-5,8H2,1-2H3.
What are the key properties of [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol?
[1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol has a molecular weight of 253.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentyl]methanol is sourced from PubChem (CID 79647631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).