6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione

C25H30N2O3 — CID 91457237

IUPAC6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(CCC(C)(C)n2c(=O)cc(O)n(C(C)c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-17-6-10-20(11-7-17)14-15-25(4,5)27-23(29)16-22(28)26(24(27)30)19(3)21-12-8-18(2)9-13-21/h6-13,16,19,28H,14-15H2,1-5H3
InChIKeyUHJFKZHATCCDAB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.31
Rot. Bonds6

About 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione

6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 91457237) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID91457237
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione
SMILESCc1ccc(CCC(C)(C)n2c(=O)cc(O)n(C(C)c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-17-6-10-20(11-7-17)14-15-25(4,5)27-23(29)16-22(28)26(24(27)30)19(3)21-12-8-18(2)9-13-21/h6-13,16,19,28H,14-15H2,1-5H3
InChIKeyUHJFKZHATCCDAB-UHFFFAOYSA-N
XLogP4.31
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-6-(4-methylphenyl)hexan-3-one
CID 159889737
2-methyl-2-[2-(4-methylphenyl)ethyl]propanedioic acid
CID 71765934
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
CID 95477555
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
3-(4-tert-butylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 38016056
2-[(4-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-one
CID 66022927
6-hydroxy-1-[(1R)-1-phenylethyl]pyrimidine-2,4-dione
CID 7642095
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
CID 171834483
1-(4-iodo-3,3-dimethylbutyl)-4-methylbenzene
CID 135084054
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
2-(hydroxymethyl)-2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]butanoic acid
CID 20722165
4-hydroxy-6-methyl-1-(1-phenylethyl)pyridin-2-one
CID 152779627

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione (CID 91457237) is 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione is Cc1ccc(CCC(C)(C)n2c(=O)cc(O)n(C(C)c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is UHJFKZHATCCDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-17-6-10-20(11-7-17)14-15-25(4,5)27-23(29)16-22(28)26(24(27)30)19(3)21-12-8-18(2)9-13-21/h6-13,16,19,28H,14-15H2,1-5H3.
What are the key properties of 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione?
6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 406.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-[2-methyl-4-(4-methylphenyl)butan-2-yl]-1-[1-(4-methylphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 91457237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).