5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine

C18H12N6 — CID 102030179

IUPAC5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine
SMILESc1cc(-c2cnc(-c3ncc(-c4ccncc4)cn3)nc2)ccn1
InChIInChI=1S/C18H12N6/c1-5-19-6-2-13(1)15-9-21-17(22-10-15)18-23-11-16(12-24-18)14-3-7-20-8-4-14/h1-12H
InChIKeyBTSDCAYVEFMPQV-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.06
Rot. Bonds3

About 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine

5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine (PubChem CID 102030179) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine
PubChem CID102030179
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine
SMILESc1cc(-c2cnc(-c3ncc(-c4ccncc4)cn3)nc2)ccn1
InChIInChI=1S/C18H12N6/c1-5-19-6-2-13(1)15-9-21-17(22-10-15)18-23-11-16(12-24-18)14-3-7-20-8-4-14/h1-12H
InChIKeyBTSDCAYVEFMPQV-UHFFFAOYSA-N
XLogP3.06
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
Tt-301
CID 54576073
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
s-Triazine, 2-amino-4-piperidino-6-(3-pyridyl)-
CID 207459
2-(Pyridin-3-yl)pyrimidine
CID 13349629
2,4,6-Tris(4-pyridyl)-1,3,5-triazine
CID 317666
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
4-[6-(Pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329454
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine (CID 102030179) is 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine is c1cc(-c2cnc(-c3ncc(-c4ccncc4)cn3)nc2)ccn1.
What is the InChIKey of 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine?
The InChIKey is BTSDCAYVEFMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-5-19-6-2-13(1)15-9-21-17(22-10-15)18-23-11-16(12-24-18)14-3-7-20-8-4-14/h1-12H.
What are the key properties of 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine?
5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2-(5-pyridin-4-ylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 102030179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).