2,8-dimethyl-5,6-dihydropteridin-7-one

C8H10N4O — CID 121388812

IUPAC2,8-dimethyl-5,6-dihydropteridin-7-one
SMILESCc1ncc2c(n1)N(C)C(=O)CN2
InChIInChI=1S/C8H10N4O/c1-5-9-3-6-8(11-5)12(2)7(13)4-10-6/h3,10H,4H2,1-2H3
InChIKeyFXSZCSVPHHTJFO-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.17
Rot. Bonds

About 2,8-dimethyl-5,6-dihydropteridin-7-one

2,8-dimethyl-5,6-dihydropteridin-7-one (PubChem CID 121388812) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2,8-dimethyl-5,6-dihydropteridin-7-one.

Molecular Properties

Compound Name2,8-dimethyl-5,6-dihydropteridin-7-one
PubChem CID121388812
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2,8-dimethyl-5,6-dihydropteridin-7-one
SMILESCc1ncc2c(n1)N(C)C(=O)CN2
InChIInChI=1S/C8H10N4O/c1-5-9-3-6-8(11-5)12(2)7(13)4-10-6/h3,10H,4H2,1-2H3
InChIKeyFXSZCSVPHHTJFO-UHFFFAOYSA-N
XLogP0.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 78225824
4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboxamide
CID 66604018
3-methylimidazolidine-2,4-dione;molecular hydrogen
CID 165132558
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
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7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
2,7-dimethyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 45080430
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-one;ethane
CID 91001277
3-(2,6-dichloro-3,5-dimethoxyphenyl)-1,7-dimethyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 166655203
2,7-dimethyl-9H-purin-8-one
CID 170617513
7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one
CID 67198720

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,6-dihydropteridin-7-one?
The IUPAC name of 2,8-dimethyl-5,6-dihydropteridin-7-one (CID 121388812) is 2,8-dimethyl-5,6-dihydropteridin-7-one.
What is the SMILES notation for 2,8-dimethyl-5,6-dihydropteridin-7-one?
The canonical SMILES for 2,8-dimethyl-5,6-dihydropteridin-7-one is Cc1ncc2c(n1)N(C)C(=O)CN2.
What is the InChIKey of 2,8-dimethyl-5,6-dihydropteridin-7-one?
The InChIKey is FXSZCSVPHHTJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-9-3-6-8(11-5)12(2)7(13)4-10-6/h3,10H,4H2,1-2H3.
What are the key properties of 2,8-dimethyl-5,6-dihydropteridin-7-one?
2,8-dimethyl-5,6-dihydropteridin-7-one has a molecular weight of 178.19 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,6-dihydropteridin-7-one is sourced from PubChem (CID 121388812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).