1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione

C22H24N2O4 — CID 127046064

IUPAC1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(COCn2c(COCc3ccccc3)cc(=O)[nH]c2=O)c1
InChIInChI=1S/C22H24N2O4/c1-16-8-17(2)10-19(9-16)13-28-15-24-20(11-21(25)23-22(24)26)14-27-12-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,25,26)
InChIKeyDHCQNWBVSQQYQP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.04
Rot. Bonds8

About 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione

1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 127046064) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID127046064
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(COCn2c(COCc3ccccc3)cc(=O)[nH]c2=O)c1
InChIInChI=1S/C22H24N2O4/c1-16-8-17(2)10-19(9-16)13-28-15-24-20(11-21(25)23-22(24)26)14-27-12-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,25,26)
InChIKeyDHCQNWBVSQQYQP-UHFFFAOYSA-N
XLogP3.04
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 127046064) is 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1cc(C)cc(COCn2c(COCc3ccccc3)cc(=O)[nH]c2=O)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is DHCQNWBVSQQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-16-8-17(2)10-19(9-16)13-28-15-24-20(11-21(25)23-22(24)26)14-27-12-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,25,26).
What are the key properties of 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione?
1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 380.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methoxymethyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 127046064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).