4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine

C13H11ClN4 — CID 71560540

IUPAC4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N)n1
InChIInChI=1S/C13H11ClN4/c1-7-12(11-4-5-16-13(15)18-11)9-6-8(14)2-3-10(9)17-7/h2-6,17H,1H3,(H2,15,16,18)
InChIKeyZOZOVZWABDIYMR-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.17
Rot. Bonds1

About 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine

4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine (PubChem CID 71560540) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
PubChem CID71560540
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine
SMILESCc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N)n1
InChIInChI=1S/C13H11ClN4/c1-7-12(11-4-5-16-13(15)18-11)9-6-8(14)2-3-10(9)17-7/h2-6,17H,1H3,(H2,15,16,18)
InChIKeyZOZOVZWABDIYMR-UHFFFAOYSA-N
XLogP3.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine 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-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine (CID 71560540) is 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine is Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N)n1.
What is the InChIKey of 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
The InChIKey is ZOZOVZWABDIYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-7-12(11-4-5-16-13(15)18-11)9-6-8(14)2-3-10(9)17-7/h2-6,17H,1H3,(H2,15,16,18).
What are the key properties of 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine?
4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methyl-1H-indol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 71560540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).