1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol

C11H18N4O2 — CID 114683932

IUPAC1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCOc1c(N)ncnc1N1CCC(O)C(C)C1
InChIInChI=1S/C11H18N4O2/c1-7-5-15(4-3-8(7)16)11-9(17-2)10(12)13-6-14-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyONNUSAXGOPJAEO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.27
Rot. Bonds2

About 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol

1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114683932) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID114683932
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCOc1c(N)ncnc1N1CCC(O)C(C)C1
InChIInChI=1S/C11H18N4O2/c1-7-5-15(4-3-8(7)16)11-9(17-2)10(12)13-6-14-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyONNUSAXGOPJAEO-UHFFFAOYSA-N
XLogP0.27
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 114683932) is 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol is COc1c(N)ncnc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is ONNUSAXGOPJAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7-5-15(4-3-8(7)16)11-9(17-2)10(12)13-6-14-11/h6-8,16H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol?
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 238.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114683932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).