4-(dimethylamino)-1H-pteridin-2-one

C8H9N5O — CID 822307

IUPAC4-(dimethylamino)-1H-pteridin-2-one
SMILESCN(C)c1nc(=O)[nH]c2nccnc12
InChIInChI=1S/C8H9N5O/c1-13(2)7-5-6(10-4-3-9-5)11-8(14)12-7/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyFPUGUAYCMJQOEK-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.22
Rot. Bonds1

About 4-(dimethylamino)-1H-pteridin-2-one

4-(dimethylamino)-1H-pteridin-2-one (PubChem CID 822307) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-(dimethylamino)-1H-pteridin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-1H-pteridin-2-one
PubChem CID822307
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-(dimethylamino)-1H-pteridin-2-one
SMILESCN(C)c1nc(=O)[nH]c2nccnc12
InChIInChI=1S/C8H9N5O/c1-13(2)7-5-6(10-4-3-9-5)11-8(14)12-7/h3-4H,1-2H3,(H,10,11,12,14)
InChIKeyFPUGUAYCMJQOEK-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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1H-pteridin-2-one?
The IUPAC name of 4-(dimethylamino)-1H-pteridin-2-one (CID 822307) is 4-(dimethylamino)-1H-pteridin-2-one.
What is the SMILES notation for 4-(dimethylamino)-1H-pteridin-2-one?
The canonical SMILES for 4-(dimethylamino)-1H-pteridin-2-one is CN(C)c1nc(=O)[nH]c2nccnc12.
What is the InChIKey of 4-(dimethylamino)-1H-pteridin-2-one?
The InChIKey is FPUGUAYCMJQOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13(2)7-5-6(10-4-3-9-5)11-8(14)12-7/h3-4H,1-2H3,(H,10,11,12,14).
What are the key properties of 4-(dimethylamino)-1H-pteridin-2-one?
4-(dimethylamino)-1H-pteridin-2-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 4-(dimethylamino)-1H-pteridin-2-one is sourced from PubChem (CID 822307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).