5-butan-2-yl-2-(3-phenylphenyl)pyrimidine

C20H20N2 — CID 140847521

IUPAC5-butan-2-yl-2-(3-phenylphenyl)pyrimidine
SMILESCCC(C)c1cnc(-c2cccc(-c3ccccc3)c2)nc1
InChIInChI=1S/C20H20N2/c1-3-15(2)19-13-21-20(22-14-19)18-11-7-10-17(12-18)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3
InChIKeySSUZWVXZAVNHKE-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.32
Rot. Bonds4

About 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine

5-butan-2-yl-2-(3-phenylphenyl)pyrimidine (PubChem CID 140847521) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name5-butan-2-yl-2-(3-phenylphenyl)pyrimidine
PubChem CID140847521
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name5-butan-2-yl-2-(3-phenylphenyl)pyrimidine
SMILESCCC(C)c1cnc(-c2cccc(-c3ccccc3)c2)nc1
InChIInChI=1S/C20H20N2/c1-3-15(2)19-13-21-20(22-14-19)18-11-7-10-17(12-18)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3
InChIKeySSUZWVXZAVNHKE-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[N-(4-butan-2-ylphenyl)-4-[3-[4-[N-(4-butan-2-ylphenyl)-4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]anilino]phenyl]phenyl]anilino]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59566466
6-butan-2-yl-1-(3-phenylphenyl)isoquinoline
CID 153437056
2-[3-(3-butan-2-ylphenyl)phenyl]pyridine
CID 140586014
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine
CID 59552748
8-butan-2-yl-2-phenyl-1,10-phenanthroline
CID 58850569
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine
CID 91096152
2-butan-2-yl-8-phenyldibenzofuran;ethane
CID 142405868
3-(5-propan-2-ylpyrimidin-2-yl)aniline
CID 105466920
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042
1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 59348213
4-[3-[3-(3-butan-2-ylphenyl)phenyl]phenyl]-2-[3-(3,5-dimethylphenyl)phenyl]-6-phenylpyrimidine;4-[3-(3,5-dimethylphenyl)phenyl]-6-[3-[3-(3-methylphenyl)phenyl]phenyl]-2-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(2-methylphenyl)phenyl]-6-phenylpyrimidine;2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-4-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine;4-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]-5-[3-(2-methylphenyl)phenyl]-2-phenylpyrimidine;4-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-2-[3-(4-methylphenyl)phenyl]-6-phenylpyrimidine
CID 160924050
bis(1,3-diphenylbenzene);ethane
CID 144938975

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine?
The IUPAC name of 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine (CID 140847521) is 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine is CCC(C)c1cnc(-c2cccc(-c3ccccc3)c2)nc1.
What is the InChIKey of 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine?
The InChIKey is SSUZWVXZAVNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-15(2)19-13-21-20(22-14-19)18-11-7-10-17(12-18)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine?
5-butan-2-yl-2-(3-phenylphenyl)pyrimidine has a molecular weight of 288.39 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 140847521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).