[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol

C14H24N4O2 — CID 116634054

IUPAC[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
SMILESCC(C)Oc1ncnc(N2CCCCCC2CO)c1N
InChIInChI=1S/C14H24N4O2/c1-10(2)20-14-12(15)13(16-9-17-14)18-7-5-3-4-6-11(18)8-19/h9-11,19H,3-8,15H2,1-2H3
InChIKeyHJJSPJKBNXLAPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.59
Rot. Bonds4

About [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol

[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol (PubChem CID 116634054) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
PubChem CID116634054
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol
SMILESCC(C)Oc1ncnc(N2CCCCCC2CO)c1N
InChIInChI=1S/C14H24N4O2/c1-10(2)20-14-12(15)13(16-9-17-14)18-7-5-3-4-6-11(18)8-19/h9-11,19H,3-8,15H2,1-2H3
InChIKeyHJJSPJKBNXLAPZ-UHFFFAOYSA-N
XLogP1.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140190
[1-(6-methoxy-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116636958
[1-(5-fluoro-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 103865791
4-(4-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
CID 19140358
[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640271
[1-(6-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633942
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633977
[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
[1-[6-(ethylamino)-5-methylpyrimidin-4-yl]azepan-2-yl]methanol
CID 116640640
4-(2-ethylpiperidin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19140576
2-[1-(6-amino-5-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80767375
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol (CID 116634054) is [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol is CC(C)Oc1ncnc(N2CCCCCC2CO)c1N.
What is the InChIKey of [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol?
The InChIKey is HJJSPJKBNXLAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)20-14-12(15)13(16-9-17-14)18-7-5-3-4-6-11(18)8-19/h9-11,19H,3-8,15H2,1-2H3.
What are the key properties of [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol?
[1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-propan-2-yloxypyrimidin-4-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116634054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).