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

C16H19N3O — CID 83184186

IUPAC[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2c3ccccc3CCC2C)ncc1CO
InChIInChI=1S/C16H19N3O/c1-11-7-8-13-5-3-4-6-15(13)19(11)16-17-9-14(10-20)12(2)18-16/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyJLMKUQAIIMKHGS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.75
Rot. Bonds2

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

[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol (PubChem CID 83184186) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
PubChem CID83184186
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
SMILESCc1nc(N2c3ccccc3CCC2C)ncc1CO
InChIInChI=1S/C16H19N3O/c1-11-7-8-13-5-3-4-6-15(13)19(11)16-17-9-14(10-20)12(2)18-16/h3-6,9,11,20H,7-8,10H2,1-2H3
InChIKeyJLMKUQAIIMKHGS-UHFFFAOYSA-N
XLogP2.75
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-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-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol (CID 83184186) is [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol is Cc1nc(N2c3ccccc3CCC2C)ncc1CO.
What is the InChIKey of [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol?
The InChIKey is JLMKUQAIIMKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-8-13-5-3-4-6-15(13)19(11)16-17-9-14(10-20)12(2)18-16/h3-6,9,11,20H,7-8,10H2,1-2H3.
What are the key properties of [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol?
[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol is sourced from PubChem (CID 83184186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).