4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile

C15H10Cl3N5 — CID 135333626

IUPAC4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile
SMILESN#Cc1cc2c(Cl)cc(Cl)cc2n1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H10Cl3N5/c16-9-3-12(17)11-5-10(7-19)23(13(11)4-9)2-1-20-15-6-14(18)21-8-22-15/h3-6,8H,1-2H2,(H,20,21,22)
InChIKeyZVQQAPCSAZWUGQ-UHFFFAOYSA-N
MW366.64 g/mol
LogP4.38
Rot. Bonds4

About 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile

4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile (PubChem CID 135333626) has the molecular formula C15H10Cl3N5 and a molecular weight of 366.64 g/mol. Its IUPAC name is 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile.

Molecular Properties

Compound Name4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile
PubChem CID135333626
Molecular FormulaC15H10Cl3N5
Molecular Weight366.64 g/mol
Exact Mass365.00
IUPAC Name4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile
SMILESN#Cc1cc2c(Cl)cc(Cl)cc2n1CCNc1cc(Cl)ncn1
InChIInChI=1S/C15H10Cl3N5/c16-9-3-12(17)11-5-10(7-19)23(13(11)4-9)2-1-20-15-6-14(18)21-8-22-15/h3-6,8H,1-2H2,(H,20,21,22)
InChIKeyZVQQAPCSAZWUGQ-UHFFFAOYSA-N
XLogP4.38
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile?
The IUPAC name of 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile (CID 135333626) is 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile.
What is the SMILES notation for 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile?
The canonical SMILES for 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile is N#Cc1cc2c(Cl)cc(Cl)cc2n1CCNc1cc(Cl)ncn1.
What is the InChIKey of 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile?
The InChIKey is ZVQQAPCSAZWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5/c16-9-3-12(17)11-5-10(7-19)23(13(11)4-9)2-1-20-15-6-14(18)21-8-22-15/h3-6,8H,1-2H2,(H,20,21,22).
What are the key properties of 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile?
4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile has a molecular weight of 366.64 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-[2-[(6-chloropyrimidin-4-yl)amino]ethyl]indole-2-carbonitrile is sourced from PubChem (CID 135333626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).