3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid

C21H20N2O5 — CID 154948715

IUPAC3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid
SMILESCc1cc(OCc2ccccc2)ccc1-c1c(C)c(=O)n(C(=O)O)c(=O)n1C
InChIInChI=1S/C21H20N2O5/c1-13-11-16(28-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(24)23(21(26)27)20(25)22(18)3/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeyNZMVKILFKCINOJ-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.94
Rot. Bonds4

About 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid

3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid (PubChem CID 154948715) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid
PubChem CID154948715
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid
SMILESCc1cc(OCc2ccccc2)ccc1-c1c(C)c(=O)n(C(=O)O)c(=O)n1C
InChIInChI=1S/C21H20N2O5/c1-13-11-16(28-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(24)23(21(26)27)20(25)22(18)3/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeyNZMVKILFKCINOJ-UHFFFAOYSA-N
XLogP2.94
TPSA90.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid with MolForge

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Related Compounds

(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one
CID 129388277
tert-butyl 2-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-6-oxo-2H-pyrimidine-1-carboxylate
CID 137393717
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
3,4-dimethyl-1-(3-phenylmethoxyphenyl)imidazol-2-one
CID 134104791
5,6-dimethyl-2-phenylmethoxyfluoren-9-one
CID 82579583
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
4,4-difluoro-6-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 170705975
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1-methyl-5-phenylmethoxy-2H-indol-3-one
CID 155591084
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1,7-dimethyl-5-phenylmethoxyindole-2-carboxylic acid
CID 145364314

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid?
The IUPAC name of 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid (CID 154948715) is 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid is Cc1cc(OCc2ccccc2)ccc1-c1c(C)c(=O)n(C(=O)O)c(=O)n1C.
What is the InChIKey of 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid?
The InChIKey is NZMVKILFKCINOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13-11-16(28-12-15-7-5-4-6-8-15)9-10-17(13)18-14(2)19(24)23(21(26)27)20(25)22(18)3/h4-11H,12H2,1-3H3,(H,26,27).
What are the key properties of 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid?
3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)-2,6-dioxopyrimidine-1-carboxylic acid is sourced from PubChem (CID 154948715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).