[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol

C13H21N3O — CID 116636939

IUPAC[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCCc1cc(N2CCCCCC2CO)ncn1
InChIInChI=1S/C13H21N3O/c1-2-11-8-13(15-10-14-11)16-7-5-3-4-6-12(16)9-17/h8,10,12,17H,2-7,9H2,1H3
InChIKeyFLCRGQDWNGFSMY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds3

About [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol

[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol (PubChem CID 116636939) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
PubChem CID116636939
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
SMILESCCc1cc(N2CCCCCC2CO)ncn1
InChIInChI=1S/C13H21N3O/c1-2-11-8-13(15-10-14-11)16-7-5-3-4-6-12(16)9-17/h8,10,12,17H,2-7,9H2,1H3
InChIKeyFLCRGQDWNGFSMY-UHFFFAOYSA-N
XLogP1.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(6-ethylpyrimidin-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

Related Compounds

[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 80670776
3-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]propanoic acid
CID 62216304
[1-[6-ethyl-4-(hydroxymethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 116637083
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]cyclopropanamine
CID 62591990
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 63256097
N-[[1-(6-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 55091054
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
2-[1-(6-propylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 61240133
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
[1-[4-(hydroxymethyl)-6-propyl-2-pyridinyl]azepan-2-yl]methanol
CID 116637089
(2S)-2-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]propanoic acid
CID 122049394

Frequently Asked Questions

What is the IUPAC name of [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol (CID 116636939) is [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol is CCc1cc(N2CCCCCC2CO)ncn1.
What is the InChIKey of [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol?
The InChIKey is FLCRGQDWNGFSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11-8-13(15-10-14-11)16-7-5-3-4-6-12(16)9-17/h8,10,12,17H,2-7,9H2,1H3.
What are the key properties of [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol?
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol is sourced from PubChem (CID 116636939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).