5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine

C14H8F2N2O — CID 127053046

IUPAC5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine
SMILESFc1cc(F)cc(-c2cncnc2-c2ccco2)c1
InChIInChI=1S/C14H8F2N2O/c15-10-4-9(5-11(16)6-10)12-7-17-8-18-14(12)13-2-1-3-19-13/h1-8H
InChIKeyLEZHQXXTTLFPGI-UHFFFAOYSA-N
MW258.23 g/mol
LogP3.68
Rot. Bonds2

About 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine

5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine (PubChem CID 127053046) has the molecular formula C14H8F2N2O and a molecular weight of 258.23 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine
PubChem CID127053046
Molecular FormulaC14H8F2N2O
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine
SMILESFc1cc(F)cc(-c2cncnc2-c2ccco2)c1
InChIInChI=1S/C14H8F2N2O/c15-10-4-9(5-11(16)6-10)12-7-17-8-18-14(12)13-2-1-3-19-13/h1-8H
InChIKeyLEZHQXXTTLFPGI-UHFFFAOYSA-N
XLogP3.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Las-38096
CID 11716665
Pyrimidine-4-carboxamide, 26
CID 11220580
N-[5-(3-fluoro-4-pyridinyl)-6-(furan-2-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 46866593
5,6-Dihydrofuro[2,3-h]quinazolin-2-amine
CID 1478697
4-(2-furyl)-2-(1H-pyrrol-1-yl)pyrimidine
CID 1481666
1-[4-(2-furyl)-2-pyrimidinyl]-1H-pyrrole-2-carbaldehyde
CID 1481670
4-(2-Furyl)-2-(4-pyridinyl)pyrimidine
CID 1485448
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
5-[2-amino-4-(2-furyl)pyrimidin-5-yl]-1-methylpyridin-2(1H)-one
CID 9814006
A2A receptor antagonist 1
CID 9879687
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
1-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9967146

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine?
The IUPAC name of 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine (CID 127053046) is 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine?
The canonical SMILES for 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine is Fc1cc(F)cc(-c2cncnc2-c2ccco2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine?
The InChIKey is LEZHQXXTTLFPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O/c15-10-4-9(5-11(16)6-10)12-7-17-8-18-14(12)13-2-1-3-19-13/h1-8H.
What are the key properties of 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine?
5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine has a molecular weight of 258.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-4-(furan-2-yl)pyrimidine is sourced from PubChem (CID 127053046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).