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

C11H17N3O — CID 62749376

IUPAC[2-(azepan-1-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C11H17N3O/c15-9-10-5-6-12-11(13-10)14-7-3-1-2-4-8-14/h5-6,15H,1-4,7-9H2
InChIKeyMTXRAINJYJJZFR-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds2

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

[2-(azepan-1-yl)pyrimidin-4-yl]methanol (PubChem CID 62749376) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [2-(azepan-1-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(azepan-1-yl)pyrimidin-4-yl]methanol
PubChem CID62749376
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[2-(azepan-1-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C11H17N3O/c15-9-10-5-6-12-11(13-10)14-7-3-1-2-4-8-14/h5-6,15H,1-4,7-9H2
InChIKeyMTXRAINJYJJZFR-UHFFFAOYSA-N
XLogP1.35
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(azepan-1-yl)pyrimidin-4-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-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
CID 83888888
[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]methanol
CID 136531931
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
[1-[4-(hydroxymethyl)pyrimidin-2-yl]-4-methylpiperidin-4-yl]carbamic acid
CID 155045808
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)butan-2-amine
CID 62745750
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 62747924
[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methanol
CID 175849457
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
[6-(azocan-1-yl)-2-pyridinyl]methanol
CID 62253750

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(azepan-1-yl)pyrimidin-4-yl]methanol (CID 62749376) is [2-(azepan-1-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(azepan-1-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(azepan-1-yl)pyrimidin-4-yl]methanol is OCc1ccnc(N2CCCCCC2)n1.
What is the InChIKey of [2-(azepan-1-yl)pyrimidin-4-yl]methanol?
The InChIKey is MTXRAINJYJJZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-9-10-5-6-12-11(13-10)14-7-3-1-2-4-8-14/h5-6,15H,1-4,7-9H2.
What are the key properties of [2-(azepan-1-yl)pyrimidin-4-yl]methanol?
[2-(azepan-1-yl)pyrimidin-4-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 62749376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).