2-(dimethylamino)-6-methyl-3H-pteridin-4-one

C9H11N5O — CID 141002834

IUPAC2-(dimethylamino)-6-methyl-3H-pteridin-4-one
SMILESCc1cnc2nc(N(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O/c1-5-4-10-7-6(11-5)8(15)13-9(12-7)14(2)3/h4H,1-3H3,(H,10,12,13,15)
InChIKeyMFVKERAZWCXZPW-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.09
Rot. Bonds1

About 2-(dimethylamino)-6-methyl-3H-pteridin-4-one

2-(dimethylamino)-6-methyl-3H-pteridin-4-one (PubChem CID 141002834) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-3H-pteridin-4-one
PubChem CID141002834
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-(dimethylamino)-6-methyl-3H-pteridin-4-one
SMILESCc1cnc2nc(N(C)C)[nH]c(=O)c2n1
InChIInChI=1S/C9H11N5O/c1-5-4-10-7-6(11-5)8(15)13-9(12-7)14(2)3/h4H,1-3H3,(H,10,12,13,15)
InChIKeyMFVKERAZWCXZPW-UHFFFAOYSA-N
XLogP0.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-3H-pteridin-4-one?
The IUPAC name of 2-(dimethylamino)-6-methyl-3H-pteridin-4-one (CID 141002834) is 2-(dimethylamino)-6-methyl-3H-pteridin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-3H-pteridin-4-one?
The canonical SMILES for 2-(dimethylamino)-6-methyl-3H-pteridin-4-one is Cc1cnc2nc(N(C)C)[nH]c(=O)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-methyl-3H-pteridin-4-one?
The InChIKey is MFVKERAZWCXZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-4-10-7-6(11-5)8(15)13-9(12-7)14(2)3/h4H,1-3H3,(H,10,12,13,15).
What are the key properties of 2-(dimethylamino)-6-methyl-3H-pteridin-4-one?
2-(dimethylamino)-6-methyl-3H-pteridin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-3H-pteridin-4-one is sourced from PubChem (CID 141002834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).