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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Related Compounds

1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
[3-amino-6-(4-aminopiperidin-1-yl)-4-(4-methylsulfonylphenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132561
3-[2-amino-6-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-4-yl]phenol
CID 11176891
4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 11184773
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-nitrophenyl)pyrimidin-2-amine;trihydrochloride
CID 11258778
4-(3-nitrophenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 142998023
3-[2-amino-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-4-yl]cyclobutan-1-ol
CID 91763301
4-[3-(methylamino)pyrrolidin-1-yl]-6-(3-methylphenyl)pyrimidin-2-amine
CID 11280824
1-[2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-yl]piperidin-4-ol
CID 110271366

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).