2-pyridin-4-ylpyrido[2,3-d]pyrimidine

C12H8N4 — CID 150520199

IUPAC2-pyridin-4-ylpyrido[2,3-d]pyrimidine
SMILESc1cnc2nc(-c3ccncc3)ncc2c1
InChIInChI=1S/C12H8N4/c1-2-10-8-15-11(16-12(10)14-5-1)9-3-6-13-7-4-9/h1-8H
InChIKeyIBQYMKYFLWXNMB-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.09
Rot. Bonds1

About 2-pyridin-4-ylpyrido[2,3-d]pyrimidine

2-pyridin-4-ylpyrido[2,3-d]pyrimidine (PubChem CID 150520199) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-pyridin-4-ylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-pyridin-4-ylpyrido[2,3-d]pyrimidine
PubChem CID150520199
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name2-pyridin-4-ylpyrido[2,3-d]pyrimidine
SMILESc1cnc2nc(-c3ccncc3)ncc2c1
InChIInChI=1S/C12H8N4/c1-2-10-8-15-11(16-12(10)14-5-1)9-3-6-13-7-4-9/h1-8H
InChIKeyIBQYMKYFLWXNMB-UHFFFAOYSA-N
XLogP2.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylpyrido[2,3-d]pyrimidine?
The IUPAC name of 2-pyridin-4-ylpyrido[2,3-d]pyrimidine (CID 150520199) is 2-pyridin-4-ylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-pyridin-4-ylpyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-pyridin-4-ylpyrido[2,3-d]pyrimidine is c1cnc2nc(-c3ccncc3)ncc2c1.
What is the InChIKey of 2-pyridin-4-ylpyrido[2,3-d]pyrimidine?
The InChIKey is IBQYMKYFLWXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c1-2-10-8-15-11(16-12(10)14-5-1)9-3-6-13-7-4-9/h1-8H.
What are the key properties of 2-pyridin-4-ylpyrido[2,3-d]pyrimidine?
2-pyridin-4-ylpyrido[2,3-d]pyrimidine has a molecular weight of 208.22 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 150520199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).