1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione

C18H20N4O2 — CID 53011100

IUPAC1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)c3cnc(C)nc3n(C)c2=O)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-10-6-11(2)15(12(3)7-10)9-22-17(23)14-8-19-13(4)20-16(14)21(5)18(22)24/h6-8H,9H2,1-5H3
InChIKeyZQQVKIWVJNQMTO-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.77
Rot. Bonds2

About 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione

1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 53011100) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID53011100
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2c(=O)c3cnc(C)nc3n(C)c2=O)c(C)c1
InChIInChI=1S/C18H20N4O2/c1-10-6-11(2)15(12(3)7-10)9-22-17(23)14-8-19-13(4)20-16(14)21(5)18(22)24/h6-8H,9H2,1-5H3
InChIKeyZQQVKIWVJNQMTO-UHFFFAOYSA-N
XLogP1.77
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione (CID 53011100) is 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione is Cc1cc(C)c(Cn2c(=O)c3cnc(C)nc3n(C)c2=O)c(C)c1.
What is the InChIKey of 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is ZQQVKIWVJNQMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-10-6-11(2)15(12(3)7-10)9-22-17(23)14-8-19-13(4)20-16(14)21(5)18(22)24/h6-8H,9H2,1-5H3.
What are the key properties of 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione?
1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 324.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[(2,4,6-trimethylphenyl)methyl]pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53011100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).