1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile

C19H22N4 — CID 50978711

IUPAC1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCCc1nc(C)cc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4/c1-3-17-21-15(2)13-18(22-17)23-11-9-19(14-20,10-12-23)16-7-5-4-6-8-16/h4-8,13H,3,9-12H2,1-2H3
InChIKeyAOHGNZBBFINJEI-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.41
Rot. Bonds3

About 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile

1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 50978711) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID50978711
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile
SMILESCCc1nc(C)cc(N2CCC(C#N)(c3ccccc3)CC2)n1
InChIInChI=1S/C19H22N4/c1-3-17-21-15(2)13-18(22-17)23-11-9-19(14-20,10-12-23)16-7-5-4-6-8-16/h4-8,13H,3,9-12H2,1-2H3
InChIKeyAOHGNZBBFINJEI-UHFFFAOYSA-N
XLogP3.41
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile (CID 50978711) is 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile is CCc1nc(C)cc(N2CCC(C#N)(c3ccccc3)CC2)n1.
What is the InChIKey of 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is AOHGNZBBFINJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-3-17-21-15(2)13-18(22-17)23-11-9-19(14-20,10-12-23)16-7-5-4-6-8-16/h4-8,13H,3,9-12H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile?
1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 306.41 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylpyrimidin-4-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 50978711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).