1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione

C27H34N2O6 — CID 90681091

IUPAC1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
SMILESCOCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)n(COC)c1=O
InChIInChI=1S/C27H34N2O6/c1-21-25(28(19-32-2)27(31)29(20-33-3)26(21)30)14-24(17-34-15-22-10-6-4-7-11-22)18-35-16-23-12-8-5-9-13-23/h4-13,24H,14-20H2,1-3H3
InChIKeyPMIMCRHLIAKVMN-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.12
Rot. Bonds14

About 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione

1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione (PubChem CID 90681091) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
PubChem CID90681091
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione
SMILESCOCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)n(COC)c1=O
InChIInChI=1S/C27H34N2O6/c1-21-25(28(19-32-2)27(31)29(20-33-3)26(21)30)14-24(17-34-15-22-10-6-4-7-11-22)18-35-16-23-12-8-5-9-13-23/h4-13,24H,14-20H2,1-3H3
InChIKeyPMIMCRHLIAKVMN-UHFFFAOYSA-N
XLogP3.12
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]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
6-Benzyl-1-benzyloxymethyl-5-iodouracil
CID 70688235
6-Benzyl-5-(dimethylamino)-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 70690256
6-(Benzyloxymethyl)-1-[(3,5-dimethylphenyl)methoxymethyl]pyrimidine-2,4-dione
CID 127046064
1-(Benzyloxymethyl)-6-(p-tolylmethoxymethyl)pyrimidine-2,4-dione
CID 127047071
1,6-Bis(benzyloxymethyl)pyrimidine-2,4-dione
CID 127047088
1-(Benzyloxymethyl)-6-(cyclohexylmethyl)-5-ethyl-3-hydroxy-pyrimidine-2,4-dione
CID 129908677
6-(Cyclohexylmethyl)-5-ethyl-1-[(4-fluorophenyl)methoxymethyl]-3-hydroxy-pyrimidine-2,4-dione
CID 129908678
6-(Cyclohexylmethyl)-5-ethyl-3-hydroxy-1-(p-tolylmethoxymethyl)pyrimidine-2,4-dione
CID 129908682

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione (CID 90681091) is 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione is COCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)n(COC)c1=O.
What is the InChIKey of 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
The InChIKey is PMIMCRHLIAKVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-21-25(28(19-32-2)27(31)29(20-33-3)26(21)30)14-24(17-34-15-22-10-6-4-7-11-22)18-35-16-23-12-8-5-9-13-23/h4-13,24H,14-20H2,1-3H3.
What are the key properties of 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione?
1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 3.12, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)-5-methyl-6-[3-phenylmethoxy-2-(phenylmethoxymethyl)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 90681091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).