10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole

C17H20N2 — CID 153390409

IUPAC10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole
SMILESCC(C)C(C)(C)c1c2ccccc2n2cccnc12
InChIInChI=1S/C17H20N2/c1-12(2)17(3,4)15-13-8-5-6-9-14(13)19-11-7-10-18-16(15)19/h5-12H,1-4H3
InChIKeyGJHUENKKPGYQJC-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.42
Rot. Bonds2

About 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole

10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole (PubChem CID 153390409) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole.

Molecular Properties

Compound Name10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole
PubChem CID153390409
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole
SMILESCC(C)C(C)(C)c1c2ccccc2n2cccnc12
InChIInChI=1S/C17H20N2/c1-12(2)17(3,4)15-13-8-5-6-9-14(13)19-11-7-10-18-16(15)19/h5-12H,1-4H3
InChIKeyGJHUENKKPGYQJC-UHFFFAOYSA-N
XLogP4.42
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole 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 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole?
The IUPAC name of 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole (CID 153390409) is 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole.
What is the SMILES notation for 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole?
The canonical SMILES for 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole is CC(C)C(C)(C)c1c2ccccc2n2cccnc12.
What is the InChIKey of 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole?
The InChIKey is GJHUENKKPGYQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12(2)17(3,4)15-13-8-5-6-9-14(13)19-11-7-10-18-16(15)19/h5-12H,1-4H3.
What are the key properties of 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole?
10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole has a molecular weight of 252.36 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dimethylbutan-2-yl)pyrimido[1,2-a]indole is sourced from PubChem (CID 153390409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).