2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

C16H18N6 — CID 78845359

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)nc(N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C16H18N6/c1-12-10-13(2)20-16(19-12)22-8-6-21(7-9-22)15-14(11-17)4-3-5-18-15/h3-5,10H,6-9H2,1-2H3
InChIKeyYBVIITIFHAZDRF-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.69
Rot. Bonds2

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 78845359) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID78845359
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)nc(N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C16H18N6/c1-12-10-13(2)20-16(19-12)22-8-6-21(7-9-22)15-14(11-17)4-3-5-18-15/h3-5,10H,6-9H2,1-2H3
InChIKeyYBVIITIFHAZDRF-UHFFFAOYSA-N
XLogP1.69
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171335886
2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 71873772
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
2-[4-(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 167804903
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
2-[4-(2-methyl-5-methylsulfonylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72892481
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
CID 69452736
3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155800265
2-[4-(6-tert-butylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139028630

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 78845359) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(C)nc(N2CCN(c3ncccc3C#N)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YBVIITIFHAZDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-12-10-13(2)20-16(19-12)22-8-6-21(7-9-22)15-14(11-17)4-3-5-18-15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 78845359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).