5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine

C15H12N4 — CID 118348376

IUPAC5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
SMILESCc1cnc(-c2ccc(-c3cccnc3)cn2)nc1
InChIInChI=1S/C15H12N4/c1-11-7-18-15(19-8-11)14-5-4-13(10-17-14)12-3-2-6-16-9-12/h2-10H,1H3
InChIKeyCESRXFJEBOECPX-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.91
Rot. Bonds2

About 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine

5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine (PubChem CID 118348376) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
PubChem CID118348376
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine
SMILESCc1cnc(-c2ccc(-c3cccnc3)cn2)nc1
InChIInChI=1S/C15H12N4/c1-11-7-18-15(19-8-11)14-5-4-13(10-17-14)12-3-2-6-16-9-12/h2-10H,1H3
InChIKeyCESRXFJEBOECPX-UHFFFAOYSA-N
XLogP2.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine?
The IUPAC name of 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine (CID 118348376) is 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine?
The canonical SMILES for 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine is Cc1cnc(-c2ccc(-c3cccnc3)cn2)nc1.
What is the InChIKey of 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine?
The InChIKey is CESRXFJEBOECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-11-7-18-15(19-8-11)14-5-4-13(10-17-14)12-3-2-6-16-9-12/h2-10H,1H3.
What are the key properties of 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine?
5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine has a molecular weight of 248.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-pyridin-3-yl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 118348376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).