1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol

C13H22N4O — CID 114683982

IUPAC1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCC(C)c1c(N)ncnc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-5-4-10(18)9(3)6-17/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyYEZJNBFXHHDDJH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.39
Rot. Bonds2

About 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol

1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114683982) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID114683982
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCC(C)c1c(N)ncnc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-5-4-10(18)9(3)6-17/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyYEZJNBFXHHDDJH-UHFFFAOYSA-N
XLogP1.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 114683982) is 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol is CC(C)c1c(N)ncnc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is YEZJNBFXHHDDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-12(14)15-7-16-13(11)17-5-4-10(18)9(3)6-17/h7-10,18H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 250.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-propan-2-ylpyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114683982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).