2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile

C14H13FN6 — CID 171999793

IUPAC2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccnc(F)c3)CC2)n1
InChIInChI=1S/C14H13FN6/c15-13-9-12(2-4-17-13)20-5-7-21(8-6-20)14-18-3-1-11(10-16)19-14/h1-4,9H,5-8H2
InChIKeyGZGPZJMMJVIEPI-UHFFFAOYSA-N
MW284.30 g/mol
LogP1.21
Rot. Bonds2

About 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile

2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 171999793) has the molecular formula C14H13FN6 and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
PubChem CID171999793
Molecular FormulaC14H13FN6
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(c3ccnc(F)c3)CC2)n1
InChIInChI=1S/C14H13FN6/c15-13-9-12(2-4-17-13)20-5-7-21(8-6-20)14-18-3-1-11(10-16)19-14/h1-4,9H,5-8H2
InChIKeyGZGPZJMMJVIEPI-UHFFFAOYSA-N
XLogP1.21
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile (CID 171999793) is 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile is N#Cc1ccnc(N2CCN(c3ccnc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is GZGPZJMMJVIEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6/c15-13-9-12(2-4-17-13)20-5-7-21(8-6-20)14-18-3-1-11(10-16)19-14/h1-4,9H,5-8H2.
What are the key properties of 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile?
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 284.30 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 171999793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).