2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one

C8H11N5O — CID 135612786

IUPAC2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one
SMILESCC1=Nc2c(nc(N)[nH]c2=O)NC1C
InChIInChI=1S/C8H11N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h4H,1-2H3,(H4,9,11,12,13,14)
InChIKeyOWLLSSAGQBFJMC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.26
Rot. Bonds

About 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one

2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135612786) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one
PubChem CID135612786
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one
SMILESCC1=Nc2c(nc(N)[nH]c2=O)NC1C
InChIInChI=1S/C8H11N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h4H,1-2H3,(H4,9,11,12,13,14)
InChIKeyOWLLSSAGQBFJMC-UHFFFAOYSA-N
XLogP0.26
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one (CID 135612786) is 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one is CC1=Nc2c(nc(N)[nH]c2=O)NC1C.
What is the InChIKey of 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is OWLLSSAGQBFJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6/h4H,1-2H3,(H4,9,11,12,13,14).
What are the key properties of 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one?
2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 193.21 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135612786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).