6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione

C7H8N4O2 — CID 135755331

IUPAC6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
SMILESCC1Nc2c(nc[nH]c2=O)NC1=O
InChIInChI=1S/C7H8N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2-3,10H,1H3,(H2,8,9,11,12,13)
InChIKeyXRLAOFHTEONXDI-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.48
Rot. Bonds

About 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione

6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione (PubChem CID 135755331) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione.

Molecular Properties

Compound Name6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
PubChem CID135755331
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione
SMILESCC1Nc2c(nc[nH]c2=O)NC1=O
InChIInChI=1S/C7H8N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2-3,10H,1H3,(H2,8,9,11,12,13)
InChIKeyXRLAOFHTEONXDI-UHFFFAOYSA-N
XLogP-0.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyltetrahydropterin
CID 135443397
6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
2-Amino-6,7-dimethyl-5,6,7,8-tetrahydropteridin-4-ol hydrochloride
CID 135436549
2-(dimethylamino)-6,7-dimethyl-5,6,7,8-tetrahydro-4(3H)-pteridinone
CID 135401455
5,6,7,8-Tetrahydropterin-6-carboxylate
CID 135911924
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
2-Amino-6-methylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135409922
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
(+/-)-6-Methyl-5,6,7,8-tetrahydropterine dihydrochloride
CID 135445757
Tetrahydropterin
CID 135453284
2-Methylamino-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135519036

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The IUPAC name of 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione (CID 135755331) is 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione.
What is the SMILES notation for 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The canonical SMILES for 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione is CC1Nc2c(nc[nH]c2=O)NC1=O.
What is the InChIKey of 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
The InChIKey is XRLAOFHTEONXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2-3,10H,1H3,(H2,8,9,11,12,13).
What are the key properties of 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione?
6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione has a molecular weight of 180.17 g/mol, XLogP of -0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5,6,8-tetrahydropteridine-4,7-dione is sourced from PubChem (CID 135755331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).