1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol

C12H20N4O — CID 81109427

IUPAC1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCCc1nc(N)cc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H20N4O/c1-3-10-14-9(13)8-11(15-10)16-6-4-12(2,17)5-7-16/h8,17H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyPKPUYSDAOVVXHW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.97
Rot. Bonds2

About 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol

1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol (PubChem CID 81109427) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
PubChem CID81109427
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
SMILESCCc1nc(N)cc(N2CCC(C)(O)CC2)n1
InChIInChI=1S/C12H20N4O/c1-3-10-14-9(13)8-11(15-10)16-6-4-12(2,17)5-7-16/h8,17H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyPKPUYSDAOVVXHW-UHFFFAOYSA-N
XLogP0.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80939063
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
2-ethyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-amine
CID 102746664
6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80939059
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114684034
1-(4-amino-6-chloro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 104924805
2-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrimidin-4-amine
CID 114238687
2-ethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80935279
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-ethylpyrimidin-4-amine
CID 115563079

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol (CID 81109427) is 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol is CCc1nc(N)cc(N2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol?
The InChIKey is PKPUYSDAOVVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-10-14-9(13)8-11(15-10)16-6-4-12(2,17)5-7-16/h8,17H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol?
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81109427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).