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6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

C18H19FN6 — CID 155798288

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1F
InChIInChI=1S/C18H19FN6/c1-12-16(19)18(23-17(22-12)14-3-4-14)25-8-6-24(7-9-25)15-5-2-13(10-20)11-21-15/h2,5,11,14H,3-4,6-9H2,1H3
InChIKeyNBGGGVWVXZEFMH-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.39
Rot. Bonds3

About 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 155798288) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID155798288
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1F
InChIInChI=1S/C18H19FN6/c1-12-16(19)18(23-17(22-12)14-3-4-14)25-8-6-24(7-9-25)15-5-2-13(10-20)11-21-15/h2,5,11,14H,3-4,6-9H2,1H3
InChIKeyNBGGGVWVXZEFMH-UHFFFAOYSA-N
XLogP2.39
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 155798288) is 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1nc(C2CC2)nc(N2CCN(c3ccc(C#N)cn3)CC2)c1F.
What is the InChIKey of 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NBGGGVWVXZEFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c1-12-16(19)18(23-17(22-12)14-3-4-14)25-8-6-24(7-9-25)15-5-2-13(10-20)11-21-15/h2,5,11,14H,3-4,6-9H2,1H3.
What are the key properties of 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 338.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 155798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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