[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol

C15H26N4O2 — CID 116640655

IUPAC[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyOPDXEIPMAXUZPF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.80
Rot. Bonds6

About [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol

[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol (PubChem CID 116640655) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
PubChem CID116640655
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
SMILESCCNc1cc(N2CCCCCC2CO)nc(COC)n1
InChIInChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyOPDXEIPMAXUZPF-UHFFFAOYSA-N
XLogP1.80
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol 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-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The IUPAC name of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol (CID 116640655) is [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol.
What is the SMILES notation for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The canonical SMILES for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol is CCNc1cc(N2CCCCCC2CO)nc(COC)n1.
What is the InChIKey of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
The InChIKey is OPDXEIPMAXUZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-16-13-9-15(18-14(17-13)11-21-2)19-8-6-4-5-7-12(19)10-20/h9,12,20H,3-8,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol?
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol has a molecular weight of 294.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol is sourced from PubChem (CID 116640655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).