2-pyridin-4-yl-2,3-dihydro-1H-perimidine

C16H13N3 — CID 687529

IUPAC2-pyridin-4-yl-2,3-dihydro-1H-perimidine
SMILESc1cc2c3c(cccc3c1)NC(c1ccncc1)N2
InChIInChI=1S/C16H13N3/c1-3-11-4-2-6-14-15(11)13(5-1)18-16(19-14)12-7-9-17-10-8-12/h1-10,16,18-19H
InChIKeyFEYLPNQLTHQWLH-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.77
Rot. Bonds1

About 2-pyridin-4-yl-2,3-dihydro-1H-perimidine

2-pyridin-4-yl-2,3-dihydro-1H-perimidine (PubChem CID 687529) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-pyridin-4-yl-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-pyridin-4-yl-2,3-dihydro-1H-perimidine
PubChem CID687529
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-pyridin-4-yl-2,3-dihydro-1H-perimidine
SMILESc1cc2c3c(cccc3c1)NC(c1ccncc1)N2
InChIInChI=1S/C16H13N3/c1-3-11-4-2-6-14-15(11)13(5-1)18-16(19-14)12-7-9-17-10-8-12/h1-10,16,18-19H
InChIKeyFEYLPNQLTHQWLH-UHFFFAOYSA-N
XLogP3.77
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-pyridin-4-yl-2,3-dihydro-1H-perimidine (CID 687529) is 2-pyridin-4-yl-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-pyridin-4-yl-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-pyridin-4-yl-2,3-dihydro-1H-perimidine is c1cc2c3c(cccc3c1)NC(c1ccncc1)N2.
What is the InChIKey of 2-pyridin-4-yl-2,3-dihydro-1H-perimidine?
The InChIKey is FEYLPNQLTHQWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-3-11-4-2-6-14-15(11)13(5-1)18-16(19-14)12-7-9-17-10-8-12/h1-10,16,18-19H.
What are the key properties of 2-pyridin-4-yl-2,3-dihydro-1H-perimidine?
2-pyridin-4-yl-2,3-dihydro-1H-perimidine has a molecular weight of 247.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 687529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).