4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane

C15H17ClN2 — CID 90736626

IUPAC4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane
SMILESCC.Cc1nc(Cl)c2c(n1)-c1cccc(C)c1C2
InChIInChI=1S/C13H11ClN2.C2H6/c1-7-4-3-5-9-10(7)6-11-12(9)15-8(2)16-13(11)14;1-2/h3-5H,6H2,1-2H3;1-2H3
InChIKeyWPLAKWAJPAMAFJ-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.34
Rot. Bonds

About 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane

4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane (PubChem CID 90736626) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane
PubChem CID90736626
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane
SMILESCC.Cc1nc(Cl)c2c(n1)-c1cccc(C)c1C2
InChIInChI=1S/C13H11ClN2.C2H6/c1-7-4-3-5-9-10(7)6-11-12(9)15-8(2)16-13(11)14;1-2/h3-5H,6H2,1-2H3;1-2H3
InChIKeyWPLAKWAJPAMAFJ-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane 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

(2E)-2-[(2-chloro-8-methylquinolin-3-yl)methylidene]-4-methyl-3H-inden-1-one
CID 11500922
4-methyl-3H-indene-1,2-dione
CID 561993
4-chloro-2,8-dimethylquinazoline
CID 71721381
5-chloro-11H-indeno[1,2-c]isoquinoline
CID 22290968
4-chloro-2-(2-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196766
2,4-dichloro-6-methyl-5,6-dihydrobenzo[h]quinazoline
CID 115420771
1,8-dimethyl-9,10-dihydrophenanthrene
CID 142741487
4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
(2E)-2-[(2-chloro-6,7-dimethoxyquinolin-3-yl)methylidene]-4-methyl-3H-inden-1-one
CID 11653768
2-methyl-4-(2-methylphenyl)quinazoline
CID 149330583
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-2-methyl-5H-indeno[1,2-b]pyridine
CID 10512877

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane?
The IUPAC name of 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane (CID 90736626) is 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane.
What is the SMILES notation for 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane?
The canonical SMILES for 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane is CC.Cc1nc(Cl)c2c(n1)-c1cccc(C)c1C2.
What is the InChIKey of 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane?
The InChIKey is WPLAKWAJPAMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2.C2H6/c1-7-4-3-5-9-10(7)6-11-12(9)15-8(2)16-13(11)14;1-2/h3-5H,6H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane?
4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane has a molecular weight of 260.77 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethyl-5H-indeno[1,2-d]pyrimidine;ethane is sourced from PubChem (CID 90736626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).