1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

C8H8N4O3 — CID 177214283

IUPAC1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCn1c(=O)c2c(=O)[nH]cnc2n(C)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-5-4(6(13)10-3-9-5)7(14)12(2)8(11)15/h3H,1-2H3,(H,9,10,13)
InChIKeyNOTHMBFPWQJKDV-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.68
Rot. Bonds

About 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 177214283) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID177214283
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCn1c(=O)c2c(=O)[nH]cnc2n(C)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-5-4(6(13)10-3-9-5)7(14)12(2)8(11)15/h3H,1-2H3,(H,9,10,13)
InChIKeyNOTHMBFPWQJKDV-UHFFFAOYSA-N
XLogP-1.68
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
CID 378985
1,6-Dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 136341765
3,7-Dimethyl-1,6-dihydropyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 136659436
N-(acetamidomethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080913
Ethane;1-methyl-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one
CID 143349850
7-amino-1-methyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 167213255
4-amino-N,1,3-trimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 12283078
5-mercapto-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
CID 71778711
1,6-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 101613595
3,6-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 101613596
7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidin-8-ium-2,4,5-trione
CID 101623702
7-(dimethylamino)-1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
CID 136702966

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 177214283) is 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is Cn1c(=O)c2c(=O)[nH]cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is NOTHMBFPWQJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-11-5-4(6(13)10-3-9-5)7(14)12(2)8(11)15/h3H,1-2H3,(H,9,10,13).
What are the key properties of 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 208.18 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 177214283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).