4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

C15H16N6O — CID 163345651

IUPAC4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cc(N2CCN(c3ccnc(C#N)c3)CC2)ncn1
InChIInChI=1S/C15H16N6O/c1-22-15-9-14(18-11-19-15)21-6-4-20(5-7-21)13-2-3-17-12(8-13)10-16/h2-3,8-9,11H,4-7H2,1H3
InChIKeyMAJGWJHBTPSTGP-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.08
Rot. Bonds3

About 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163345651) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163345651
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cc(N2CCN(c3ccnc(C#N)c3)CC2)ncn1
InChIInChI=1S/C15H16N6O/c1-22-15-9-14(18-11-19-15)21-6-4-20(5-7-21)13-2-3-17-12(8-13)10-16/h2-3,8-9,11H,4-7H2,1H3
InChIKeyMAJGWJHBTPSTGP-UHFFFAOYSA-N
XLogP1.08
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345910
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163345548
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 163346338
4-(4-propan-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 62924964
4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carbonitrile
CID 47092348
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345546
3-chloro-4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 136536726
4-piperazin-1-ylpyridine-2-carbonitrile;dihydrochloride
CID 154825612
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163346364
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carbonitrile
CID 55211755

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 163345651) is 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is COc1cc(N2CCN(c3ccnc(C#N)c3)CC2)ncn1.
What is the InChIKey of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MAJGWJHBTPSTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-22-15-9-14(18-11-19-15)21-6-4-20(5-7-21)13-2-3-17-12(8-13)10-16/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).