1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol

C16H20N4O3S — CID 141280230

IUPAC1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCC(O)CC3)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)13-4-2-11(3-5-13)14-10-15(19-16(17)18-14)20-8-6-12(21)7-9-20/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,19)
InChIKeyDCIQGUSYNWLDDV-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.09
Rot. Bonds3

About 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol

1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 141280230) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID141280230
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCC(O)CC3)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O3S/c1-24(22,23)13-4-2-11(3-5-13)14-10-15(19-16(17)18-14)20-8-6-12(21)7-9-20/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,19)
InChIKeyDCIQGUSYNWLDDV-UHFFFAOYSA-N
XLogP1.09
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol (CID 141280230) is 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol is CS(=O)(=O)c1ccc(-c2cc(N3CCC(O)CC3)nc(N)n2)cc1.
What is the InChIKey of 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is DCIQGUSYNWLDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-24(22,23)13-4-2-11(3-5-13)14-10-15(19-16(17)18-14)20-8-6-12(21)7-9-20/h2-5,10,12,21H,6-9H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol?
1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 348.43 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(4-methylsulfonylphenyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 141280230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).