4-pyrimidin-2-ylquinoline

C13H9N3 — CID 123157198

IUPAC4-pyrimidin-2-ylquinoline
SMILESc1cnc(-c2ccnc3ccccc23)nc1
InChIInChI=1S/C13H9N3/c1-2-5-12-10(4-1)11(6-9-14-12)13-15-7-3-8-16-13/h1-9H
InChIKeyGGXHKHWAXIULSC-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.69
Rot. Bonds1

About 4-pyrimidin-2-ylquinoline

4-pyrimidin-2-ylquinoline (PubChem CID 123157198) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-pyrimidin-2-ylquinoline.

Molecular Properties

Compound Name4-pyrimidin-2-ylquinoline
PubChem CID123157198
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name4-pyrimidin-2-ylquinoline
SMILESc1cnc(-c2ccnc3ccccc23)nc1
InChIInChI=1S/C13H9N3/c1-2-5-12-10(4-1)11(6-9-14-12)13-15-7-3-8-16-13/h1-9H
InChIKeyGGXHKHWAXIULSC-UHFFFAOYSA-N
XLogP2.69
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867656
2-(5-pyrimidin-2-ylnaphthalen-1-yl)pyrimidine
CID 169050093
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)quinoline
CID 80550830
2,5-di(quinolin-4-yl)-1,3,4-oxadiazole
CID 143438590
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
cyclopenta[d][1]benzazepine
CID 90914140
ethane;4-methylquinoline
CID 90853056
argon;4-methylquinoline
CID 175059803
4-naphthalen-2-ylquinoline
CID 14173372
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
iodomethane;4-methylquinoline
CID 161278358
pyrrolo[3,4-d][1]benzazepine
CID 70490498

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-ylquinoline?
The IUPAC name of 4-pyrimidin-2-ylquinoline (CID 123157198) is 4-pyrimidin-2-ylquinoline.
What is the SMILES notation for 4-pyrimidin-2-ylquinoline?
The canonical SMILES for 4-pyrimidin-2-ylquinoline is c1cnc(-c2ccnc3ccccc23)nc1.
What is the InChIKey of 4-pyrimidin-2-ylquinoline?
The InChIKey is GGXHKHWAXIULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-2-5-12-10(4-1)11(6-9-14-12)13-15-7-3-8-16-13/h1-9H.
What are the key properties of 4-pyrimidin-2-ylquinoline?
4-pyrimidin-2-ylquinoline has a molecular weight of 207.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-ylquinoline is sourced from PubChem (CID 123157198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).