2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one

C9H15N5O — CID 154243833

IUPAC2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one
SMILESCCC1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O/c1-3-9(2)4-11-6-5(14-9)7(15)13-8(10)12-6/h14H,3-4H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyBMZKPOOSUZXMNO-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.36
Rot. Bonds1

About 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one

2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one (PubChem CID 154243833) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one
PubChem CID154243833
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one
SMILESCCC1(C)CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O/c1-3-9(2)4-11-6-5(14-9)7(15)13-8(10)12-6/h14H,3-4H2,1-2H3,(H4,10,11,12,13,15)
InChIKeyBMZKPOOSUZXMNO-UHFFFAOYSA-N
XLogP0.36
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one (CID 154243833) is 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one is CCC1(C)CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
The InChIKey is BMZKPOOSUZXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-3-9(2)4-11-6-5(14-9)7(15)13-8(10)12-6/h14H,3-4H2,1-2H3,(H4,10,11,12,13,15).
What are the key properties of 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one?
2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one has a molecular weight of 209.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-6-methyl-3,5,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 154243833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).