N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine

C15H15ClN4 — CID 88890566

IUPACN-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine
SMILESCc1cc2cc(N(C)c3ccnc(Cl)n3)ccc2n1C
InChIInChI=1S/C15H15ClN4/c1-10-8-11-9-12(4-5-13(11)19(10)2)20(3)14-6-7-17-15(16)18-14/h4-9H,1-3H3
InChIKeyRKFVMBRIGXUELV-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.70
Rot. Bonds2

About N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine

N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine (PubChem CID 88890566) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine.

Molecular Properties

Compound NameN-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine
PubChem CID88890566
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine
SMILESCc1cc2cc(N(C)c3ccnc(Cl)n3)ccc2n1C
InChIInChI=1S/C15H15ClN4/c1-10-8-11-9-12(4-5-13(11)19(10)2)20(3)14-6-7-17-15(16)18-14/h4-9H,1-3H3
InChIKeyRKFVMBRIGXUELV-UHFFFAOYSA-N
XLogP3.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine?
The IUPAC name of N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine (CID 88890566) is N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine.
What is the SMILES notation for N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine?
The canonical SMILES for N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine is Cc1cc2cc(N(C)c3ccnc(Cl)n3)ccc2n1C.
What is the InChIKey of N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine?
The InChIKey is RKFVMBRIGXUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-10-8-11-9-12(4-5-13(11)19(10)2)20(3)14-6-7-17-15(16)18-14/h4-9H,1-3H3.
What are the key properties of N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine?
N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine has a molecular weight of 286.77 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrimidin-4-yl)-N,1,2-trimethylindol-5-amine is sourced from PubChem (CID 88890566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).