4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine

C16H17FN2 — CID 71620014

IUPAC4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine
SMILESC=Cc1nc(CCCC)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2/c1-3-5-6-14-11-15(19-16(4-2)18-14)12-7-9-13(17)10-8-12/h4,7-11H,2-3,5-6H2,1H3
InChIKeyBSAJUYOHPRYRCM-UHFFFAOYSA-N
MW256.32 g/mol
LogP4.27
Rot. Bonds5

About 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine

4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine (PubChem CID 71620014) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine
PubChem CID71620014
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine
SMILESC=Cc1nc(CCCC)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2/c1-3-5-6-14-11-15(19-16(4-2)18-14)12-7-9-13(17)10-8-12/h4,7-11H,2-3,5-6H2,1H3
InChIKeyBSAJUYOHPRYRCM-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
4-Phenylpyrimidine
CID 18923
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Iodo-6-phenylpyrimidine
CID 817368
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
4-Methyl-2-quinazolinamine
CID 269325
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine (CID 71620014) is 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine is C=Cc1nc(CCCC)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine?
The InChIKey is BSAJUYOHPRYRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-3-5-6-14-11-15(19-16(4-2)18-14)12-7-9-13(17)10-8-12/h4,7-11H,2-3,5-6H2,1H3.
What are the key properties of 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine?
4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine has a molecular weight of 256.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-ethenyl-6-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 71620014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).