ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate

C12H15N5O4 — CID 171384003

IUPACethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate
SMILESCCOC(=O)c1nc2c(OC(C)C)nc(N)nc2[nH]c1=O
InChIInChI=1S/C12H15N5O4/c1-4-20-11(19)7-9(18)15-8-6(14-7)10(21-5(2)3)17-12(13)16-8/h5H,4H2,1-3H3,(H3,13,15,16,17,18)
InChIKeyOUAFCCVIEKAMFA-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.26
Rot. Bonds4

About ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate

ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate (PubChem CID 171384003) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate
PubChem CID171384003
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Nameethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate
SMILESCCOC(=O)c1nc2c(OC(C)C)nc(N)nc2[nH]c1=O
InChIInChI=1S/C12H15N5O4/c1-4-20-11(19)7-9(18)15-8-6(14-7)10(21-5(2)3)17-12(13)16-8/h5H,4H2,1-3H3,(H3,13,15,16,17,18)
InChIKeyOUAFCCVIEKAMFA-UHFFFAOYSA-N
XLogP0.26
TPSA133.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate?
The IUPAC name of ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate (CID 171384003) is ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate?
The canonical SMILES for ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate is CCOC(=O)c1nc2c(OC(C)C)nc(N)nc2[nH]c1=O.
What is the InChIKey of ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate?
The InChIKey is OUAFCCVIEKAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-4-20-11(19)7-9(18)15-8-6(14-7)10(21-5(2)3)17-12(13)16-8/h5H,4H2,1-3H3,(H3,13,15,16,17,18).
What are the key properties of ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate?
ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-oxo-4-propan-2-yloxy-8H-pteridine-6-carboxylate is sourced from PubChem (CID 171384003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).