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

C18H19FN6 — CID 155798288

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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Related Compounds

4-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155798905
5-chloro-6-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154882666
5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155798869
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
3-cyclopropyl-5-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 155798609
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-[(4-fluoro-3-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119122036
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
CID 75483989

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).