3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole

C16H15N3 — CID 144611466

IUPAC3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
SMILESCc1ncc(C2CC2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-10-17-8-13(11-6-7-11)16(19-10)14-9-18-15-5-3-2-4-12(14)15/h2-5,8-9,11,18H,6-7H2,1H3
InChIKeyUTBARGGKYVSLPC-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.81
Rot. Bonds2

About 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole

3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole (PubChem CID 144611466) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
PubChem CID144611466
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
SMILESCc1ncc(C2CC2)c(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C16H15N3/c1-10-17-8-13(11-6-7-11)16(19-10)14-9-18-15-5-3-2-4-12(14)15/h2-5,8-9,11,18H,6-7H2,1H3
InChIKeyUTBARGGKYVSLPC-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole 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

3-[(4R)-4-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097329
3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 118417945
4-(1H-indol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82487831
3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
CID 137108562
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-bromo-1-(1H-indol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 84609160
methane;3-phenyl-1H-indole
CID 167711687

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole?
The IUPAC name of 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole (CID 144611466) is 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole?
The canonical SMILES for 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole is Cc1ncc(C2CC2)c(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole?
The InChIKey is UTBARGGKYVSLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-10-17-8-13(11-6-7-11)16(19-10)14-9-18-15-5-3-2-4-12(14)15/h2-5,8-9,11,18H,6-7H2,1H3.
What are the key properties of 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole?
3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole has a molecular weight of 249.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole is sourced from PubChem (CID 144611466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).