4-amino-6-ethyl-3H-pteridin-2-one

C8H9N5O — CID 24810988

IUPAC4-amino-6-ethyl-3H-pteridin-2-one
SMILESCCc1cnc2nc(=O)[nH]c(N)c2n1
InChIInChI=1S/C8H9N5O/c1-2-4-3-10-7-5(11-4)6(9)12-8(14)13-7/h3H,2H2,1H3,(H3,9,10,12,13,14)
InChIKeyWEAZVASKQKQFML-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.14
Rot. Bonds1

About 4-amino-6-ethyl-3H-pteridin-2-one

4-amino-6-ethyl-3H-pteridin-2-one (PubChem CID 24810988) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-amino-6-ethyl-3H-pteridin-2-one.

Molecular Properties

Compound Name4-amino-6-ethyl-3H-pteridin-2-one
PubChem CID24810988
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-amino-6-ethyl-3H-pteridin-2-one
SMILESCCc1cnc2nc(=O)[nH]c(N)c2n1
InChIInChI=1S/C8H9N5O/c1-2-4-3-10-7-5(11-4)6(9)12-8(14)13-7/h3H,2H2,1H3,(H3,9,10,12,13,14)
InChIKeyWEAZVASKQKQFML-UHFFFAOYSA-N
XLogP-0.14
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethylpteridin-2-amine
CID 167106574
5-ethyl-3H-imidazo[4,5-b]pyrazine
CID 89104469
2-amino-6-(3-hydroxypropyl)-3H-pteridin-4-one
CID 137234292
2-amino-6-[(1-hydroxyethylamino)methyl]-3H-pteridin-4-one
CID 163537979
6-amino-1,7-dihydropurin-2-one;hydrochloride
CID 67634855
2-amino-6-(2-phenylethyl)-3H-pteridin-4-one
CID 135840208
2-ethyl-6H-pyrido[3,4-b]pyrazin-5-one
CID 149402131
ethyl 4-[2-(2-amino-4-oxo-3H-pteridin-6-yl)ethyl]benzoate
CID 135692615
2-amino-6-(hydroxymethyl)-3H-pteridin-4-one;phosphono dihydrogen phosphate
CID 135764586
6-(2-amino-4-oxo-3H-pteridin-6-yl)-3-methylhexanoic acid
CID 158588014
7-bromo-3-ethylpyrido[2,3-b]pyrazine
CID 175916445
6-amino-5-methyl-1H-pyrimidin-2-one;fluoromethane
CID 142546478

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-3H-pteridin-2-one?
The IUPAC name of 4-amino-6-ethyl-3H-pteridin-2-one (CID 24810988) is 4-amino-6-ethyl-3H-pteridin-2-one.
What is the SMILES notation for 4-amino-6-ethyl-3H-pteridin-2-one?
The canonical SMILES for 4-amino-6-ethyl-3H-pteridin-2-one is CCc1cnc2nc(=O)[nH]c(N)c2n1.
What is the InChIKey of 4-amino-6-ethyl-3H-pteridin-2-one?
The InChIKey is WEAZVASKQKQFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-2-4-3-10-7-5(11-4)6(9)12-8(14)13-7/h3H,2H2,1H3,(H3,9,10,12,13,14).
What are the key properties of 4-amino-6-ethyl-3H-pteridin-2-one?
4-amino-6-ethyl-3H-pteridin-2-one has a molecular weight of 191.19 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-3H-pteridin-2-one is sourced from PubChem (CID 24810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).