4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione

C7H6N4O4 — CID 123748347

IUPAC4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione
SMILESCOc1nc(=O)[nH]c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C7H6N4O4/c1-15-5-3-2(8-7(14)11-5)4(12)10-6(13)9-3/h1H3,(H,8,11,14)(H2,9,10,12,13)
InChIKeyKHQMRXQGJBNMEP-UHFFFAOYSA-N
MW210.15 g/mol
LogP-1.69
Rot. Bonds1

About 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione

4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione (PubChem CID 123748347) has the molecular formula C7H6N4O4 and a molecular weight of 210.15 g/mol. Its IUPAC name is 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione.

Molecular Properties

Compound Name4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione
PubChem CID123748347
Molecular FormulaC7H6N4O4
Molecular Weight210.15 g/mol
Exact Mass210.04
IUPAC Name4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione
SMILESCOc1nc(=O)[nH]c2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C7H6N4O4/c1-15-5-3-2(8-7(14)11-5)4(12)10-6(13)9-3/h1H3,(H,8,11,14)(H2,9,10,12,13)
InChIKeyKHQMRXQGJBNMEP-UHFFFAOYSA-N
XLogP-1.69
TPSA120.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-1,7-dihydropyrrolo[2,3-d]pyrimidin-2-one
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4-methoxy-6,6-dioxo-5,7-dihydro-1H-thieno[3,4-d]pyrimidin-2-one
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8-(3,5-dimethoxyphenyl)-3,7-dihydropurine-2,6-dione
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CID 174946590
CID 174946590
7,9-dihydro-3H-purine-2,6,8-trione;trihydrate
CID 172860093
2,5-diamino-4-methoxy-1H-pyrimidin-6-one
CID 118167344
6-fluoro-4-methoxy-1H-quinazolin-2-one
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magnesium;7,9-dihydro-3H-purine-2,6,8-trione;hydride
CID 173069750
12-methoxy-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
CID 142642156

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione?
The IUPAC name of 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione (CID 123748347) is 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione.
What is the SMILES notation for 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione?
The canonical SMILES for 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione is COc1nc(=O)[nH]c2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione?
The InChIKey is KHQMRXQGJBNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4/c1-15-5-3-2(8-7(14)11-5)4(12)10-6(13)9-3/h1H3,(H,8,11,14)(H2,9,10,12,13).
What are the key properties of 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione?
4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione has a molecular weight of 210.15 g/mol, XLogP of -1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,5-dihydropyrimido[5,4-d]pyrimidine-2,6,8-trione is sourced from PubChem (CID 123748347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).