ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate

C11H13N5O4 — CID 171384257

IUPACethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate
SMILESCCOC(=O)c1nc2c(OC)nc(N)nc2n(C)c1=O
InChIInChI=1S/C11H13N5O4/c1-4-20-10(18)6-9(17)16(2)7-5(13-6)8(19-3)15-11(12)14-7/h4H2,1-3H3,(H2,12,14,15)
InChIKeyMKQMXDXAVXXRSB-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.51
Rot. Bonds3

About ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate

ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate (PubChem CID 171384257) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate
PubChem CID171384257
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Nameethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate
SMILESCCOC(=O)c1nc2c(OC)nc(N)nc2n(C)c1=O
InChIInChI=1S/C11H13N5O4/c1-4-20-10(18)6-9(17)16(2)7-5(13-6)8(19-3)15-11(12)14-7/h4H2,1-3H3,(H2,12,14,15)
InChIKeyMKQMXDXAVXXRSB-UHFFFAOYSA-N
XLogP-0.51
TPSA122.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate?
The IUPAC name of ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate (CID 171384257) is ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate is CCOC(=O)c1nc2c(OC)nc(N)nc2n(C)c1=O.
What is the InChIKey of ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate?
The InChIKey is MKQMXDXAVXXRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-4-20-10(18)6-9(17)16(2)7-5(13-6)8(19-3)15-11(12)14-7/h4H2,1-3H3,(H2,12,14,15).
What are the key properties of ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate?
ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate has a molecular weight of 279.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methoxy-8-methyl-7-oxopteridine-6-carboxylate is sourced from PubChem (CID 171384257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).