1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol

C14H24N4O — CID 107409073

IUPAC1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-11-16-12(15)10(2)13(17-11)18-8-5-6-14(3,19)7-9-18/h19H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyYGOQHCAXAUDTAL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds2

About 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol

1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol (PubChem CID 107409073) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
PubChem CID107409073
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
SMILESCCc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1
InChIInChI=1S/C14H24N4O/c1-4-11-16-12(15)10(2)13(17-11)18-8-5-6-14(3,19)7-9-18/h19H,4-9H2,1-3H3,(H2,15,16,17)
InChIKeyYGOQHCAXAUDTAL-UHFFFAOYSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol (CID 107409073) is 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol is CCc1nc(N)c(C)c(N2CCCC(C)(O)CC2)n1.
What is the InChIKey of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol?
The InChIKey is YGOQHCAXAUDTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-11-16-12(15)10(2)13(17-11)18-8-5-6-14(3,19)7-9-18/h19H,4-9H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol?
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol has a molecular weight of 264.37 g/mol, XLogP of 1.67, 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-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107409073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).