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

C15H16N4O4 — CID 29134316

IUPAC(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc([C@H]2NC(=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)/t11-/m1/s1
InChIKeyZOIKEVUZBFYEPW-LLVKDONJSA-N
MW316.32 g/mol
LogP0.32
Rot. Bonds2

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

(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (PubChem CID 29134316) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
PubChem CID29134316
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name(5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
SMILESCOc1ccc([C@H]2NC(=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)/t11-/m1/s1
InChIKeyZOIKEVUZBFYEPW-LLVKDONJSA-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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Related Compounds

5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 42651997
(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29133033
(5R)-7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 126085811
5-(4-methoxyphenyl)-1,3-dimethyl-6-phenyl-7-sulfanylidene-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4-dione
CID 102126121
5-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[4,3-d]pyrimidine-2,4-dione
CID 57338633
5-(4-methoxyphenyl)-1,3,8,8-tetramethyl-5,7,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 18866920
5-(4-methoxybenzoyl)-1,3-dimethyl-7-sulfanylidene-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 132503439
benzyl 5-(4-methoxyphenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 4729355
methyl 5-(4-bromophenyl)-7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbodithioate
CID 50901278
5'-(4-methoxyphenyl)-1,1',3,3'-tetramethylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262091
(4S)-5-benzyl-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 6990662
methyl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 677732

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The IUPAC name of (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione (CID 29134316) is (5R)-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 (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The canonical SMILES for (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is COc1ccc([C@H]2NC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
The InChIKey is ZOIKEVUZBFYEPW-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione?
(5R)-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 (5R)-5-(4-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 29134316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).