5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione

C30H30N2O4 — CID 91042131

IUPAC5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESCC1CC(c2ccccc2)c2c1c(=O)n(COCc1ccccc1)c(=O)n2COCc1ccccc1
InChIInChI=1S/C30H30N2O4/c1-22-17-26(25-15-9-4-10-16-25)28-27(22)29(33)32(21-36-19-24-13-7-3-8-14-24)30(34)31(28)20-35-18-23-11-5-2-6-12-23/h2-16,22,26H,17-21H2,1H3
InChIKeyZDHUCXRJVHBDJZ-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.00
Rot. Bonds9

About 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione

5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (PubChem CID 91042131) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
PubChem CID91042131
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC Name5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
SMILESCC1CC(c2ccccc2)c2c1c(=O)n(COCc1ccccc1)c(=O)n2COCc1ccccc1
InChIInChI=1S/C30H30N2O4/c1-22-17-26(25-15-9-4-10-16-25)28-27(22)29(33)32(21-36-19-24-13-7-3-8-14-24)30(34)31(28)20-35-18-23-11-5-2-6-12-23/h2-16,22,26H,17-21H2,1H3
InChIKeyZDHUCXRJVHBDJZ-UHFFFAOYSA-N
XLogP5.00
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-Benzyl-1-benzyloxymethyl-5-isopropyl uracil
CID 446515
1-[(Benzyloxy)methyl]-6-(Cyclohexylmethyl)-3-Hydroxy-5-(Propan-2-Yl)pyrimidine-2,4(1h,3h)-Dione
CID 129010126
6-Benzyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52938233
6-Benzyl-1-(benzyloxymethyl)-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52938234
Barbituric acid, 1,3-bis((benzyloxy)methyl)-5-ethyl-5-phenyl-
CID 214000
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-ethyl-3-hydroxy-pyrimidine-2,4-dione
CID 129908677
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-isopropyl-pyrimidine-2,4-dione
CID 129908702
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-ethyl-pyrimidine-2,4-dione
CID 129908875
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-methyl-pyrimidine-2,4-dione
CID 129909458
1-(Benzyloxymethyl)-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52936321
1-[(4-Fluorophenyl)methoxymethyl]-6-[(4-fluorophenyl)methyl]-3-hydroxy-5-isopropyl-pyrimidine-2,4-dione
CID 52936322
6-Benzyl-1-(benzyloxymethyl)-5-ethyl-3-hydroxy-pyrimidine-2,4-dione
CID 52936323

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione (CID 91042131) is 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is CC1CC(c2ccccc2)c2c1c(=O)n(COCc1ccccc1)c(=O)n2COCc1ccccc1.
What is the InChIKey of 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is ZDHUCXRJVHBDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-22-17-26(25-15-9-4-10-16-25)28-27(22)29(33)32(21-36-19-24-13-7-3-8-14-24)30(34)31(28)20-35-18-23-11-5-2-6-12-23/h2-16,22,26H,17-21H2,1H3.
What are the key properties of 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione?
5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenyl-1,3-bis(phenylmethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 91042131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).