4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine

C12H13FN2 — CID 137444906

IUPAC4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
SMILESCCC1N=CNC=C1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-2-12-11(7-14-8-15-12)9-3-5-10(13)6-4-9/h3-8,12H,2H2,1H3,(H,14,15)
InChIKeyXVBWOCOXQVDFAD-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.58
Rot. Bonds2

About 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine

4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine (PubChem CID 137444906) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
PubChem CID137444906
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
SMILESCCC1N=CNC=C1c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c1-2-12-11(7-14-8-15-12)9-3-5-10(13)6-4-9/h3-8,12H,2H2,1H3,(H,14,15)
InChIKeyXVBWOCOXQVDFAD-UHFFFAOYSA-N
XLogP2.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

FORMAMIDINE, N,N-DIMETHYL-N'-(alpha-METHYLPHENETHYL)-
CID 43856
Methanimidamide, N,N'-bis(1-methyl-2-phenylethyl)-
CID 3046299
2-[2-(2-fluorophenyl)ethyl](11C)guanidine
CID 16220905
2-[2-(3-fluorophenyl)ethyl](11C)guanidine
CID 16221748
2-[2-(4-fluorophenyl)ethyl](11C)guanidine
CID 16221749
4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
N'-benzyl-N-[(4-fluorophenyl)methyl]methanimidamide
CID 134865879
Guanidine, (1-phenylethyl)-, (+)-
CID 228028
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
2-Methyl-4-phenyl-1,4-dihydropyrimidine
CID 70493140
5-Bromo-4-phenyl3,4-dihydropyrimidine
CID 141328883
2,6-Dichloro-5-fluoro-4-phenyl-1,4-dihydropyrimidine
CID 131862364

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The IUPAC name of 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine (CID 137444906) is 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine.
What is the SMILES notation for 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The canonical SMILES for 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine is CCC1N=CNC=C1c1ccc(F)cc1.
What is the InChIKey of 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
The InChIKey is XVBWOCOXQVDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-2-12-11(7-14-8-15-12)9-3-5-10(13)6-4-9/h3-8,12H,2H2,1H3,(H,14,15).
What are the key properties of 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine?
4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine has a molecular weight of 204.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine is sourced from PubChem (CID 137444906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).