2-amino-6,7-dimethyl-3H-pteridin-4-one

C8H9N5O — CID 135399180

IUPAC2-amino-6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(N)[nH]c(=O)c2nc1C
InChIInChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
InChIKeyZKWZUPPXTCQQJL-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.09
Rot. Bonds

About 2-amino-6,7-dimethyl-3H-pteridin-4-one

2-amino-6,7-dimethyl-3H-pteridin-4-one (PubChem CID 135399180) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-3H-pteridin-4-one
PubChem CID135399180
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-amino-6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(N)[nH]c(=O)c2nc1C
InChIInChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14)
InChIKeyZKWZUPPXTCQQJL-UHFFFAOYSA-N
XLogP-0.09
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-3H-pteridin-4-one?
The IUPAC name of 2-amino-6,7-dimethyl-3H-pteridin-4-one (CID 135399180) is 2-amino-6,7-dimethyl-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethyl-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6,7-dimethyl-3H-pteridin-4-one is Cc1nc2nc(N)[nH]c(=O)c2nc1C.
What is the InChIKey of 2-amino-6,7-dimethyl-3H-pteridin-4-one?
The InChIKey is ZKWZUPPXTCQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h1-2H3,(H3,9,11,12,13,14).
What are the key properties of 2-amino-6,7-dimethyl-3H-pteridin-4-one?
2-amino-6,7-dimethyl-3H-pteridin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-3H-pteridin-4-one is sourced from PubChem (CID 135399180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).