6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one

C25H30N2O — CID 59785853

IUPAC6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one
SMILESCCCCc1nc(C)n(CCC)c(=O)c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-4-6-12-24-23(25(28)27(17-5-2)19(3)26-24)18-20-13-15-22(16-14-20)21-10-8-7-9-11-21/h7-11,13-16H,4-6,12,17-18H2,1-3H3
InChIKeyMETUBEJXTMZOTE-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.56
Rot. Bonds8

About 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one

6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one (PubChem CID 59785853) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one
PubChem CID59785853
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one
SMILESCCCCc1nc(C)n(CCC)c(=O)c1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-4-6-12-24-23(25(28)27(17-5-2)19(3)26-24)18-20-13-15-22(16-14-20)21-10-8-7-9-11-21/h7-11,13-16H,4-6,12,17-18H2,1-3H3
InChIKeyMETUBEJXTMZOTE-UHFFFAOYSA-N
XLogP5.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-butyl-5-[[4-(2-carboxyphenyl)phenyl]methyl]-2-methyl-6-oxopyrimidin-1-yl]methyl]benzoic acid
CID 10815565
3-benzyl-6-butyl-2-methyl-5-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 10509161
2-[4-[[4-butyl-1-(2-hydroxy-2-phenylethyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 70852521
2-[4-[[1-(2-hydroxyethyl)-2-methyl-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 10385549
2-[4-[[4-butyl-1-(2-hydroxy-3,3-dimethylbutyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 57460137
2-[4-[[4-butyl-1-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]benzonitrile
CID 57460202
CID 54578172
CID 54578172
6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)pyrimidin-4-one
CID 10696603
5-[[4-butyl-2-methyl-6-oxo-1-(quinolin-2-ylmethyl)pyrimidin-5-yl]methyl]-2-phenylbenzonitrile
CID 174587883
potassium;3-[2-[4-[[4-butyl-1-(cyclohexylmethyl)-2-methyl-6-oxopyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
CID 173053131
5-[[1-[(3-acetylphenyl)methyl]-4-butyl-2-methyl-6-oxopyrimidin-5-yl]methyl]-2-phenylbenzonitrile
CID 175265349
CID 162167558
CID 162167558

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one?
The IUPAC name of 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one (CID 59785853) is 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one.
What is the SMILES notation for 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one?
The canonical SMILES for 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one is CCCCc1nc(C)n(CCC)c(=O)c1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one?
The InChIKey is METUBEJXTMZOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-6-12-24-23(25(28)27(17-5-2)19(3)26-24)18-20-13-15-22(16-14-20)21-10-8-7-9-11-21/h7-11,13-16H,4-6,12,17-18H2,1-3H3.
What are the key properties of 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one?
6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one has a molecular weight of 374.53 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-methyl-5-[(4-phenylphenyl)methyl]-3-propylpyrimidin-4-one is sourced from PubChem (CID 59785853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).