3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione

C8H8N4O3 — CID 136659436

IUPAC3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2[nH]c(=O)n(C)c(=O)c2c(=O)[nH]1
InChIInChI=1S/C8H8N4O3/c1-3-9-5-4(6(13)10-3)7(14)12(2)8(15)11-5/h1-2H3,(H2,9,10,11,13,15)
InChIKeyNWRVVCUBNUESIJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.38
Rot. Bonds

About 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione

3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 136659436) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID136659436
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2[nH]c(=O)n(C)c(=O)c2c(=O)[nH]1
InChIInChI=1S/C8H8N4O3/c1-3-9-5-4(6(13)10-3)7(14)12(2)8(15)11-5/h1-2H3,(H2,9,10,11,13,15)
InChIKeyNWRVVCUBNUESIJ-UHFFFAOYSA-N
XLogP-1.38
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimido(4,5-d)pyrimidine-2,4,5(1H,3H,6H)-trione, 1,3,6,7-tetramethyl-
CID 3049073
7-Ethyl-5-mercapto-1,3-dimethylpyrimido[4,5-D]pyrimidine-2,4(1H,3H)-dione
CID 16776328
7-(difluoromethyl)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 177214231
3,7-dimethyl-1-(2-methylpropyl)-5-sulfanyl-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
CID 2574885
7-methyl-1,3-dipropyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 8852592
1,3-dimethyl-7-propan-2-yl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16776773
4-amino-1-(2-aminoethyl)-7-(methylamino)-6H-pyrimido[4,5-d]pyrimidine-2,5-dione
CID 137143826
2-ethyl-4-(methylamino)-6-oxo-1H-pyrimidine-5-carboxamide
CID 142673329
3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 165179303
1-cyclopropyl-3,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 165179307
7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 167213255
1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 177214283

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 136659436) is 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione is Cc1nc2[nH]c(=O)n(C)c(=O)c2c(=O)[nH]1.
What is the InChIKey of 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is NWRVVCUBNUESIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-3-9-5-4(6(13)10-3)7(14)12(2)8(15)11-5/h1-2H3,(H2,9,10,11,13,15).
What are the key properties of 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione?
3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 208.18 g/mol, XLogP of -1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 136659436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).