[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol

C10H13N3O — CID 130484663

IUPAC[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1N1CC=CCC1
InChIInChI=1S/C10H13N3O/c14-7-9-6-11-8-12-10(9)13-4-2-1-3-5-13/h1-2,6,8,14H,3-5,7H2
InChIKeyFXLOYOMCMKVSNX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.74
Rot. Bonds2

About [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol

[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol (PubChem CID 130484663) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol
PubChem CID130484663
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1N1CC=CCC1
InChIInChI=1S/C10H13N3O/c14-7-9-6-11-8-12-10(9)13-4-2-1-3-5-13/h1-2,6,8,14H,3-5,7H2
InChIKeyFXLOYOMCMKVSNX-UHFFFAOYSA-N
XLogP0.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-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 [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol (CID 130484663) is [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol is OCc1cncnc1N1CC=CCC1.
What is the InChIKey of [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol?
The InChIKey is FXLOYOMCMKVSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-7-9-6-11-8-12-10(9)13-4-2-1-3-5-13/h1-2,6,8,14H,3-5,7H2.
What are the key properties of [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol?
[4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 130484663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).