[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol

C12H20N4OS — CID 80792404

IUPAC[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCNc1cc(N2CCCC(CO)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-6-11(15-12(14-10)18-2)16-5-3-4-9(7-16)8-17/h6,9,17H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyCPKIIAWRGMDVDF-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.45
Rot. Bonds4

About [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 80792404) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID80792404
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCNc1cc(N2CCCC(CO)C2)nc(SC)n1
InChIInChI=1S/C12H20N4OS/c1-13-10-6-11(15-12(14-10)18-2)16-5-3-4-9(7-16)8-17/h6,9,17H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyCPKIIAWRGMDVDF-UHFFFAOYSA-N
XLogP1.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol (CID 80792404) is [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol is CNc1cc(N2CCCC(CO)C2)nc(SC)n1.
What is the InChIKey of [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CPKIIAWRGMDVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-10-6-11(15-12(14-10)18-2)16-5-3-4-9(7-16)8-17/h6,9,17H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 268.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 80792404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).