2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol

C13H13N3O — CID 65042206

IUPAC2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol
SMILESOC(c1ccncn1)C1Cc2ccccc2N1
InChIInChI=1S/C13H13N3O/c17-13(11-5-6-14-8-15-11)12-7-9-3-1-2-4-10(9)16-12/h1-6,8,12-13,16-17H,7H2
InChIKeyQPCGEZYCEIYBBD-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.55
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol

2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol (PubChem CID 65042206) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol
PubChem CID65042206
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol
SMILESOC(c1ccncn1)C1Cc2ccccc2N1
InChIInChI=1S/C13H13N3O/c17-13(11-5-6-14-8-15-11)12-7-9-3-1-2-4-10(9)16-12/h1-6,8,12-13,16-17H,7H2
InChIKeyQPCGEZYCEIYBBD-UHFFFAOYSA-N
XLogP1.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-indol-2-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

pyrimidin-4-yl(1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 65041776
2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527971
2,3-dihydro-1H-indol-2-yl(pyridin-3-yl)methanol
CID 65042396
cyclopropyl(2,3-dihydro-1H-indol-2-yl)methanol
CID 65041649
2,3-dihydro-1H-indol-2-yl-(4-methylphenyl)methanol
CID 3825939
(5-bromothiophen-2-yl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 65042831
(2,4-dichlorophenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 65042297
(3-chloro-4-methylphenyl)-(2,3-dihydro-1H-indol-2-yl)methanol
CID 106818099
2,3-dihydro-1H-indol-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 65041648
2-butan-2-yl-2,3-dihydro-1H-indole
CID 70399536
1-(2,3-dihydro-1H-indol-2-yl)-N-methylethanamine
CID 83860499
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol (CID 65042206) is 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol is OC(c1ccncn1)C1Cc2ccccc2N1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol?
The InChIKey is QPCGEZYCEIYBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(11-5-6-14-8-15-11)12-7-9-3-1-2-4-10(9)16-12/h1-6,8,12-13,16-17H,7H2.
What are the key properties of 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol?
2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol has a molecular weight of 227.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl(pyrimidin-4-yl)methanol is sourced from PubChem (CID 65042206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).