6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

C21H22N2O4 — CID 127047071

IUPAC6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1ccc(COCc2cc(=O)[nH]c(=O)n2COCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-16-7-9-18(10-8-16)12-26-14-19-11-20(24)22-21(25)23(19)15-27-13-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,22,24,25)
InChIKeyVZORLJBBKUWKJP-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.74
Rot. Bonds8

About 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione

6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (PubChem CID 127047071) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
PubChem CID127047071
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
SMILESCc1ccc(COCc2cc(=O)[nH]c(=O)n2COCc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-16-7-9-18(10-8-16)12-26-14-19-11-20(24)22-21(25)23(19)15-27-13-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,22,24,25)
InChIKeyVZORLJBBKUWKJP-UHFFFAOYSA-N
XLogP2.74
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione (CID 127047071) is 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is Cc1ccc(COCc2cc(=O)[nH]c(=O)n2COCc2ccccc2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
The InChIKey is VZORLJBBKUWKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-16-7-9-18(10-8-16)12-26-14-19-11-20(24)22-21(25)23(19)15-27-13-17-5-3-2-4-6-17/h2-11H,12-15H2,1H3,(H,22,24,25).
What are the key properties of 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione?
6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione has a molecular weight of 366.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methoxymethyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 127047071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).