5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione

C15H16N4O4 — CID 42651997

IUPAC5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C15H16N4O4/c1-18-12-10(13(20)19(2)15(18)22)11(16-14(21)17-12)8-4-6-9(23-3)7-5-8/h4-7,11H,1-3H3,(H2,16,17,21)
InChIKeyZOIKEVUZBFYEPW-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.32
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione

5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (PubChem CID 42651997) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
PubChem CID42651997
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc(C2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C15H16N4O4/c1-18-12-10(13(20)19(2)15(18)22)11(16-14(21)17-12)8-4-6-9(23-3)7-5-8/h4-7,11H,1-3H3,(H2,16,17,21)
InChIKeyZOIKEVUZBFYEPW-UHFFFAOYSA-N
XLogP0.32
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (CID 42651997) is 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is COc1ccc(C2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The InChIKey is ZOIKEVUZBFYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-18-12-10(13(20)19(2)15(18)22)11(16-14(21)17-12)8-4-6-9(23-3)7-5-8/h4-7,11H,1-3H3,(H2,16,17,21).
What are the key properties of 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione has a molecular weight of 316.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 42651997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).