5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine

C11H15FN2 — CID 145259504

IUPAC5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine
SMILESC/C=C(/F)c1c(C)ncnc1CCC
InChIInChI=1S/C11H15FN2/c1-4-6-10-11(9(12)5-2)8(3)13-7-14-10/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyRKQMUZSJTHRSDV-WEVVVXLNSA-N
MW194.25 g/mol
LogP3.07
Rot. Bonds3

About 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine

5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine (PubChem CID 145259504) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine.

Molecular Properties

Compound Name5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine
PubChem CID145259504
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine
SMILESC/C=C(/F)c1c(C)ncnc1CCC
InChIInChI=1S/C11H15FN2/c1-4-6-10-11(9(12)5-2)8(3)13-7-14-10/h5,7H,4,6H2,1-3H3/b9-5+
InChIKeyRKQMUZSJTHRSDV-WEVVVXLNSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-phenylpyrimidine
CID 598429
5,7-dihexyl-5-methyl-6H-quinazolin-4-amine
CID 44449131
4-(3-Fluorophenyl)-6-methylpyrimidine
CID 13072816
4-(4-Fluorophenyl)-6-methylpyrimidine
CID 13072817
4-Methyl-5-benzylpyrimidine
CID 86068067
7,8-Dihydroquinazoline
CID 68306972
4,6-Dimethyl-5-phenyl-pyrimidine
CID 85577211
Quinazolin-5-imine
CID 129718694
4-Fluoro-6-phenylpyrimidine
CID 599976
Pyrimidine, 4-dimethylamino-6-(4-fluorophenyl)-
CID 604830
4-(2,4-Difluorophenyl)-6-difluoromethyl-5-methylpyrimidin
CID 17856556
N-benzyl-6-(1-fluoroethyl)-5-iodo-N-methylpyrimidin-4-amine
CID 17861193

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine?
The IUPAC name of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine (CID 145259504) is 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine.
What is the SMILES notation for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine?
The canonical SMILES for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine is C/C=C(/F)c1c(C)ncnc1CCC.
What is the InChIKey of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine?
The InChIKey is RKQMUZSJTHRSDV-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H15FN2/c1-4-6-10-11(9(12)5-2)8(3)13-7-14-10/h5,7H,4,6H2,1-3H3/b9-5+.
What are the key properties of 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine?
5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine has a molecular weight of 194.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-fluoroprop-1-enyl]-4-methyl-6-propylpyrimidine is sourced from PubChem (CID 145259504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).