2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione

C8H10N4O2 — CID 135703341

IUPAC2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)C(C)N2
InChIInChI=1S/C8H10N4O2/c1-3-7(13)12-5-6(9-3)10-4(2)11-8(5)14/h3H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyUKGOEKVNIYYVNR-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.17
Rot. Bonds

About 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione

2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione (PubChem CID 135703341) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione.

Molecular Properties

Compound Name2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione
PubChem CID135703341
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione
SMILESCc1nc2c(c(=O)[nH]1)NC(=O)C(C)N2
InChIInChI=1S/C8H10N4O2/c1-3-7(13)12-5-6(9-3)10-4(2)11-8(5)14/h3H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyUKGOEKVNIYYVNR-UHFFFAOYSA-N
XLogP-0.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.17
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
2,2-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
6,6-Dimethyltetrahydropterin
CID 135537086
Quinonoid-2-amino-4-hydroxy-6,7-dimethyldihydropteridine
CID 135612786
2-Amino-6-dimethylaminomethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 136035310
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione?
The IUPAC name of 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione (CID 135703341) is 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione.
What is the SMILES notation for 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione?
The canonical SMILES for 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione is Cc1nc2c(c(=O)[nH]1)NC(=O)C(C)N2.
What is the InChIKey of 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione?
The InChIKey is UKGOEKVNIYYVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-3-7(13)12-5-6(9-3)10-4(2)11-8(5)14/h3H,1-2H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione?
2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione has a molecular weight of 194.19 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3,5,7,8-tetrahydropteridine-4,6-dione is sourced from PubChem (CID 135703341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).