6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine

C15H11F2N3 — CID 123678257

IUPAC6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine
SMILESFc1ccc(C2=CCN=C(c3ccc(F)cn3)N2)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)13-7-8-18-15(20-13)14-6-5-12(17)9-19-14/h1-7,9H,8H2,(H,18,20)
InChIKeyANSCOCJVOVQLFR-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.75
Rot. Bonds2

About 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine

6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine (PubChem CID 123678257) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine
PubChem CID123678257
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine
SMILESFc1ccc(C2=CCN=C(c3ccc(F)cn3)N2)cc1
InChIInChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)13-7-8-18-15(20-13)14-6-5-12(17)9-19-14/h1-7,9H,8H2,(H,18,20)
InChIKeyANSCOCJVOVQLFR-UHFFFAOYSA-N
XLogP2.75
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(4-isocyanophenyl)pyridine
CID 176758449
4-(4-fluorophenyl)-5-(5-fluoro-2-pyridinyl)-1H-pyrazol-3-amine
CID 104638645
5-(5-fluoro-2-pyridinyl)-1,3-benzothiazole
CID 59282943
2-(5-fluoro-2-pyridinyl)-4,5-dihydropyrimidine
CID 177316366
5-fluoro-2-(3,4,5-trichlorophenyl)pyridine
CID 133090365
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
2-[6-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]-3-pyridinyl]-2,3,5,6-tetrahydro-1,3-benzothiazole
CID 166850042
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
5-[(E)-3-chloroprop-1-enyl]-2-(4-fluorophenyl)pyridine
CID 68822099
5-(3-chloroprop-1-enyl)-2-(4-fluorophenyl)pyridine
CID 68822102

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine (CID 123678257) is 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine is Fc1ccc(C2=CCN=C(c3ccc(F)cn3)N2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine?
The InChIKey is ANSCOCJVOVQLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-3-1-10(2-4-11)13-7-8-18-15(20-13)14-6-5-12(17)9-19-14/h1-7,9H,8H2,(H,18,20).
What are the key properties of 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine?
6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine has a molecular weight of 271.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(5-fluoro-2-pyridinyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 123678257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).