1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol

C12H20N4O — CID 114684034

IUPAC1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCCc1nc(N)cc(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-11-14-10(13)6-12(15-11)16-5-4-9(17)8(2)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyGRJFNMLJHHHJSI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.83
Rot. Bonds2

About 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol

1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114684034) 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)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID114684034
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCCc1nc(N)cc(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-11-14-10(13)6-12(15-11)16-5-4-9(17)8(2)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyGRJFNMLJHHHJSI-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-ethylpyrimidin-4-amine
CID 80933210
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
[4-(6-amino-2-ethylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 81218623
2-ethyl-6-(4-methylsulfanylazepan-1-yl)pyrimidin-4-amine
CID 114238687
6-(4-cyclopentylpiperazin-1-yl)-2-ethylpyrimidin-4-amine
CID 80934683
6-(3-methoxy-4-methylpiperidin-1-yl)-2-propylpyrimidin-4-amine
CID 102971349
1-(6-amino-2-ethylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109427
6-(3-ethylpyrrolidin-1-yl)-2-propylpyrimidin-4-amine
CID 113419496
2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80934998
2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80939059

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 114684034) is 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol is CCc1nc(N)cc(N2CCC(O)C(C)C2)n1.
What is the InChIKey of 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is GRJFNMLJHHHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-11-14-10(13)6-12(15-11)16-5-4-9(17)8(2)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
1-(6-amino-2-ethylpyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 236.32 g/mol, XLogP of 0.83, 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)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114684034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).