5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine

C13H11ClN4 — CID 123474723

IUPAC5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18)
InChIKeyRDDIQHLAYXDAPM-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.32
Rot. Bonds2

About 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 123474723) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
PubChem CID123474723
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1
InChIInChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18)
InChIKeyRDDIQHLAYXDAPM-UHFFFAOYSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine (CID 123474723) is 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(-c2cccc3[nH]ccc23)n1.
What is the InChIKey of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is RDDIQHLAYXDAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-15-13-17-7-10(14)12(18-13)9-3-2-4-11-8(9)5-6-16-11/h2-7,16H,1H3,(H,15,17,18).
What are the key properties of 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 258.71 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 123474723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).