[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol

C14H21N3O — CID 163343411

IUPAC[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
SMILESCc1cnc(N2CC3CCCCC3(CO)C2)nc1
InChIInChI=1S/C14H21N3O/c1-11-6-15-13(16-7-11)17-8-12-4-2-3-5-14(12,9-17)10-18/h6-7,12,18H,2-5,8-10H2,1H3
InChIKeyVFLLXPNAPKPEIM-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.77
Rot. Bonds2

About [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol

[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol (PubChem CID 163343411) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
PubChem CID163343411
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
SMILESCc1cnc(N2CC3CCCCC3(CO)C2)nc1
InChIInChI=1S/C14H21N3O/c1-11-6-15-13(16-7-11)17-8-12-4-2-3-5-14(12,9-17)10-18/h6-7,12,18H,2-5,8-10H2,1H3
InChIKeyVFLLXPNAPKPEIM-UHFFFAOYSA-N
XLogP1.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-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 [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The IUPAC name of [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol (CID 163343411) is [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol.
What is the SMILES notation for [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The canonical SMILES for [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol is Cc1cnc(N2CC3CCCCC3(CO)C2)nc1.
What is the InChIKey of [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The InChIKey is VFLLXPNAPKPEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-15-13(16-7-11)17-8-12-4-2-3-5-14(12,9-17)10-18/h6-7,12,18H,2-5,8-10H2,1H3.
What are the key properties of [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol has a molecular weight of 247.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol is sourced from PubChem (CID 163343411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).