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

C16H23N3O — CID 163343428

IUPAC[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
SMILESOCC12CCCCC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C16H23N3O/c20-10-16-6-2-1-3-13(16)8-19(9-16)15-7-14(12-4-5-12)17-11-18-15/h7,11-13,20H,1-6,8-10H2
InChIKeyJGKWMYASGAFGEM-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds3

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

[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol (PubChem CID 163343428) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
PubChem CID163343428
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
SMILESOCC12CCCCC1CN(c1cc(C3CC3)ncn1)C2
InChIInChI=1S/C16H23N3O/c20-10-16-6-2-1-3-13(16)8-19(9-16)15-7-14(12-4-5-12)17-11-18-15/h7,11-13,20H,1-6,8-10H2
InChIKeyJGKWMYASGAFGEM-UHFFFAOYSA-N
XLogP2.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(6-cyclopropylpyrimidin-4-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

Related Compounds

(2-thieno[3,2-d]pyrimidin-4-yl-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl)methanol
CID 163343509
[2-(5-methylpyrimidin-2-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 163343411
[2-(5-fluoropyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol
CID 163343399
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
(3aR,6aR)-5-(cyclobutanecarbonyl)-2-(6-cyclopropylpyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133128101
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
(2-quinoxalin-2-yl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl)methanol
CID 155980325
(3aS,6aS)-2-(6-cyclopropylpyrimidin-4-yl)-5-[2-(dimethylamino)acetyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72841811
[2-(5-fluoro-6-phenylpyrimidin-4-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 155974594
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 126848081
[1-(6-cyclohexylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 141272664
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200

Frequently Asked Questions

What is the IUPAC name of [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The IUPAC name of [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol (CID 163343428) is [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol.
What is the SMILES notation for [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The canonical SMILES for [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol is OCC12CCCCC1CN(c1cc(C3CC3)ncn1)C2.
What is the InChIKey of [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
The InChIKey is JGKWMYASGAFGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-10-16-6-2-1-3-13(16)8-19(9-16)15-7-14(12-4-5-12)17-11-18-15/h7,11-13,20H,1-6,8-10H2.
What are the key properties of [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol?
[2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-cyclopropylpyrimidin-4-yl)-3,4,5,6,7,7a-hexahydro-1H-isoindol-3a-yl]methanol is sourced from PubChem (CID 163343428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).