2-(dimethylamino)-3H-pteridin-4-one

C8H9N5O — CID 135443570

IUPAC2-(dimethylamino)-3H-pteridin-4-one
SMILESCN(C)c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O/c1-13(2)8-11-6-5(7(14)12-8)9-3-4-10-6/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyAUAHIQMUUCDLNZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.22
Rot. Bonds1

About 2-(dimethylamino)-3H-pteridin-4-one

2-(dimethylamino)-3H-pteridin-4-one (PubChem CID 135443570) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(dimethylamino)-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-3H-pteridin-4-one
PubChem CID135443570
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-(dimethylamino)-3H-pteridin-4-one
SMILESCN(C)c1nc2nccnc2c(=O)[nH]1
InChIInChI=1S/C8H9N5O/c1-13(2)8-11-6-5(7(14)12-8)9-3-4-10-6/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyAUAHIQMUUCDLNZ-UHFFFAOYSA-N
XLogP-0.22
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pterin
CID 135398660
Lumazine
CID 10250
4(1H)-Pteridinone, 2-amino-6-methyl-
CID 135416532
6-Formylpterin
CID 135409352
Aminopyrazine carboxamide
CID 280292
Pteridin-4-ol
CID 135460266
2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-
CID 343616
1-Methyl-2,4(1H,3H)-pteridinedione
CID 556817
Pyrazinecarboxamide, N-((diethylamino)methyl)-
CID 120524
2-Acetylamino-4-hydroxy-6-formylpteridine
CID 135447887
2-(Ethylsulfanyl)pteridin-4(1h)-one
CID 135518616
2-Mercaptopteridin-4-ol
CID 919948

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3H-pteridin-4-one?
The IUPAC name of 2-(dimethylamino)-3H-pteridin-4-one (CID 135443570) is 2-(dimethylamino)-3H-pteridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-3H-pteridin-4-one?
The canonical SMILES for 2-(dimethylamino)-3H-pteridin-4-one is CN(C)c1nc2nccnc2c(=O)[nH]1.
What is the InChIKey of 2-(dimethylamino)-3H-pteridin-4-one?
The InChIKey is AUAHIQMUUCDLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13(2)8-11-6-5(7(14)12-8)9-3-4-10-6/h3-4H,1-2H3,(H,10,11,12,14).
What are the key properties of 2-(dimethylamino)-3H-pteridin-4-one?
2-(dimethylamino)-3H-pteridin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3H-pteridin-4-one is sourced from PubChem (CID 135443570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).