2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one

C11H17N5O — CID 170274755

IUPAC2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCCC(C)CC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C11H17N5O/c1-3-6(2)4-7-5-13-9-8(14-7)10(17)16-11(12)15-9/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyHLMJBHBRIGYUIX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.29
Rot. Bonds3

About 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one

2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one (PubChem CID 170274755) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one
PubChem CID170274755
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one
SMILESCCC(C)CC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C11H17N5O/c1-3-6(2)4-7-5-13-9-8(14-7)10(17)16-11(12)15-9/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)
InChIKeyHLMJBHBRIGYUIX-UHFFFAOYSA-N
XLogP1.29
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one (CID 170274755) is 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one is CCC(C)CC1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is HLMJBHBRIGYUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-6(2)4-7-5-13-9-8(14-7)10(17)16-11(12)15-9/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17).
What are the key properties of 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 235.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylbutyl)-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 170274755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).