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

C11H18N4OS — CID 80763962

IUPAC1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
SMILESCNc1cc(N2CCC(O)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-12-9-7-10(14-11(13-9)17-2)15-5-3-8(16)4-6-15/h7-8,16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyPRBIMFCSGZMAQI-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.20
Rot. Bonds3

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

1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol (PubChem CID 80763962) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
PubChem CID80763962
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
SMILESCNc1cc(N2CCC(O)CC2)nc(SC)n1
InChIInChI=1S/C11H18N4OS/c1-12-9-7-10(14-11(13-9)17-2)15-5-3-8(16)4-6-15/h7-8,16H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyPRBIMFCSGZMAQI-UHFFFAOYSA-N
XLogP1.20
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.20
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-4-ol?
The IUPAC name of 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol (CID 80763962) is 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol is CNc1cc(N2CCC(O)CC2)nc(SC)n1.
What is the InChIKey of 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol?
The InChIKey is PRBIMFCSGZMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-12-9-7-10(14-11(13-9)17-2)15-5-3-8(16)4-6-15/h7-8,16H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol?
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol has a molecular weight of 254.36 g/mol, XLogP of 1.20, 3 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-4-ol is sourced from PubChem (CID 80763962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).