2,6,7-trimethyl-3H-pteridin-4-one

C9H10N4O — CID 135822569

IUPAC2,6,7-trimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-4-5(2)11-8-7(10-4)9(14)13-6(3)12-8/h1-3H3,(H,11,12,13,14)
InChIKeyBNTNTONHMSSNRJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.64
Rot. Bonds

About 2,6,7-trimethyl-3H-pteridin-4-one

2,6,7-trimethyl-3H-pteridin-4-one (PubChem CID 135822569) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2,6,7-trimethyl-3H-pteridin-4-one.

Molecular Properties

Compound Name2,6,7-trimethyl-3H-pteridin-4-one
PubChem CID135822569
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2,6,7-trimethyl-3H-pteridin-4-one
SMILESCc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-4-5(2)11-8-7(10-4)9(14)13-6(3)12-8/h1-3H3,(H,11,12,13,14)
InChIKeyBNTNTONHMSSNRJ-UHFFFAOYSA-N
XLogP0.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-3H-pteridin-4-one?
The IUPAC name of 2,6,7-trimethyl-3H-pteridin-4-one (CID 135822569) is 2,6,7-trimethyl-3H-pteridin-4-one.
What is the SMILES notation for 2,6,7-trimethyl-3H-pteridin-4-one?
The canonical SMILES for 2,6,7-trimethyl-3H-pteridin-4-one is Cc1nc2nc(C)c(C)nc2c(=O)[nH]1.
What is the InChIKey of 2,6,7-trimethyl-3H-pteridin-4-one?
The InChIKey is BNTNTONHMSSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-4-5(2)11-8-7(10-4)9(14)13-6(3)12-8/h1-3H3,(H,11,12,13,14).
What are the key properties of 2,6,7-trimethyl-3H-pteridin-4-one?
2,6,7-trimethyl-3H-pteridin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3H-pteridin-4-one is sourced from PubChem (CID 135822569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).