4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine

C20H19FN2 — CID 71619596

IUPAC4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine
SMILESCCCCc1cc(-c2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19FN2/c1-2-3-9-18-14-19(15-10-12-17(21)13-11-15)23-20(22-18)16-7-5-4-6-8-16/h4-8,10-14H,2-3,9H2,1H3
InChIKeyNLRFEUUFCSWONM-UHFFFAOYSA-N
MW306.38 g/mol
LogP5.29
Rot. Bonds5

About 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine

4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine (PubChem CID 71619596) has the molecular formula C20H19FN2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine
PubChem CID71619596
Molecular FormulaC20H19FN2
Molecular Weight306.38 g/mol
Exact Mass306.15
IUPAC Name4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine
SMILESCCCCc1cc(-c2ccc(F)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C20H19FN2/c1-2-3-9-18-14-19(15-10-12-17(21)13-11-15)23-20(22-18)16-7-5-4-6-8-16/h4-8,10-14H,2-3,9H2,1H3
InChIKeyNLRFEUUFCSWONM-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
Luf-5735
CID 11392960
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
6-Ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
CID 11020649
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine?
The IUPAC name of 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine (CID 71619596) is 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine is CCCCc1cc(-c2ccc(F)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine?
The InChIKey is NLRFEUUFCSWONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2/c1-2-3-9-18-14-19(15-10-12-17(21)13-11-15)23-20(22-18)16-7-5-4-6-8-16/h4-8,10-14H,2-3,9H2,1H3.
What are the key properties of 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine?
4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine has a molecular weight of 306.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-(4-fluorophenyl)-2-phenylpyrimidine is sourced from PubChem (CID 71619596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).