1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol

C12H20N4O2 — CID 50951061

IUPAC1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol
SMILESCC(C)Oc1cc(N2CCCC(O)C2)nc(N)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)18-11-6-10(14-12(13)15-11)16-5-3-4-9(17)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyTXANHFUENDJXSH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol

1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol (PubChem CID 50951061) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol
PubChem CID50951061
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol
SMILESCC(C)Oc1cc(N2CCCC(O)C2)nc(N)n1
InChIInChI=1S/C12H20N4O2/c1-8(2)18-11-6-10(14-12(13)15-11)16-5-3-4-9(17)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyTXANHFUENDJXSH-UHFFFAOYSA-N
XLogP0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol (CID 50951061) is 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol is CC(C)Oc1cc(N2CCCC(O)C2)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol?
The InChIKey is TXANHFUENDJXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)18-11-6-10(14-12(13)15-11)16-5-3-4-9(17)7-16/h6,8-9,17H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol?
1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol has a molecular weight of 252.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 50951061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).