8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid

C12H15N5O3 — CID 171383913

IUPAC8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid
SMILESCCNc1nc(C)c2nc(C(=O)O)c(=O)n(CC)c2n1
InChIInChI=1S/C12H15N5O3/c1-4-13-12-14-6(3)7-9(16-12)17(5-2)10(18)8(15-7)11(19)20/h4-5H2,1-3H3,(H,19,20)(H,13,14,16)
InChIKeyOKVJDINEHQFRLI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.64
Rot. Bonds4

About 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid

8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid (PubChem CID 171383913) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid
PubChem CID171383913
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid
SMILESCCNc1nc(C)c2nc(C(=O)O)c(=O)n(CC)c2n1
InChIInChI=1S/C12H15N5O3/c1-4-13-12-14-6(3)7-9(16-12)17(5-2)10(18)8(15-7)11(19)20/h4-5H2,1-3H3,(H,19,20)(H,13,14,16)
InChIKeyOKVJDINEHQFRLI-UHFFFAOYSA-N
XLogP0.64
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid?
The IUPAC name of 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid (CID 171383913) is 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid?
The canonical SMILES for 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid is CCNc1nc(C)c2nc(C(=O)O)c(=O)n(CC)c2n1.
What is the InChIKey of 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid?
The InChIKey is OKVJDINEHQFRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-13-12-14-6(3)7-9(16-12)17(5-2)10(18)8(15-7)11(19)20/h4-5H2,1-3H3,(H,19,20)(H,13,14,16).
What are the key properties of 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid?
8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(ethylamino)-4-methyl-7-oxopteridine-6-carboxylic acid is sourced from PubChem (CID 171383913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).