5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione

C19H14N4O2 — CID 5405494

IUPAC5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1nc(-c2ccccc2)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C19H14N4O2/c1-12-15-17(21-16(20-12)13-8-4-2-5-9-13)22-19(25)23(18(15)24)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22,25)
InChIKeyLVOZRTVLOLMHGN-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.44
Rot. Bonds2

About 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione

5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 5405494) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID5405494
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1nc(-c2ccccc2)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C19H14N4O2/c1-12-15-17(21-16(20-12)13-8-4-2-5-9-13)22-19(25)23(18(15)24)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22,25)
InChIKeyLVOZRTVLOLMHGN-UHFFFAOYSA-N
XLogP2.44
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 5405494) is 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cc1nc(-c2ccccc2)nc2[nH]c(=O)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is LVOZRTVLOLMHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-12-15-17(21-16(20-12)13-8-4-2-5-9-13)22-19(25)23(18(15)24)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21,22,25).
What are the key properties of 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione?
5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 330.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,7-diphenyl-1H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 5405494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).