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

C9H13N5O — CID 135526949

IUPAC2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one
SMILESCCCC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H13N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h2-4H2,1H3,(H4,10,11,13,14,15)
InChIKeyXGYZOEHLUVBXCG-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.65
Rot. Bonds2

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

2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one (PubChem CID 135526949) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one
PubChem CID135526949
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one
SMILESCCCC1=Nc2c(nc(N)[nH]c2=O)NC1
InChIInChI=1S/C9H13N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h2-4H2,1H3,(H4,10,11,13,14,15)
InChIKeyXGYZOEHLUVBXCG-UHFFFAOYSA-N
XLogP0.65
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one (CID 135526949) is 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one is CCCC1=Nc2c(nc(N)[nH]c2=O)NC1.
What is the InChIKey of 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one?
The InChIKey is XGYZOEHLUVBXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-3-5-4-11-7-6(12-5)8(15)14-9(10)13-7/h2-4H2,1H3,(H4,10,11,13,14,15).
What are the key properties of 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one?
2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one has a molecular weight of 207.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propyl-7,8-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135526949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).