3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

C15H15ClN6 — CID 133458797

IUPAC3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1nccc(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1
InChIInChI=1S/C15H15ClN6/c1-11-18-5-4-15(19-11)22-8-6-21(7-9-22)14-3-2-12(16)13(10-17)20-14/h2-5H,6-9H2,1H3
InChIKeyICAFJDAYVFQLKN-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.03
Rot. Bonds2

About 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133458797) has the molecular formula C15H15ClN6 and a molecular weight of 314.78 g/mol. Its IUPAC name is 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133458797
Molecular FormulaC15H15ClN6
Molecular Weight314.78 g/mol
Exact Mass314.10
IUPAC Name3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCc1nccc(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1
InChIInChI=1S/C15H15ClN6/c1-11-18-5-4-15(19-11)22-8-6-21(7-9-22)14-3-2-12(16)13(10-17)20-14/h2-5H,6-9H2,1H3
InChIKeyICAFJDAYVFQLKN-UHFFFAOYSA-N
XLogP2.03
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 133458797) is 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is Cc1nccc(N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1.
What is the InChIKey of 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ICAFJDAYVFQLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6/c1-11-18-5-4-15(19-11)22-8-6-21(7-9-22)14-3-2-12(16)13(10-17)20-14/h2-5H,6-9H2,1H3.
What are the key properties of 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 314.78 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133458797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).