ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate

C9H14N4O4 — CID 155663388

IUPACethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate
SMILESCCOC(=O)Nc1c(N)nc(OC)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4-17-9(15)11-5-6(10)12-8(16-3)13(2)7(5)14/h4,10H2,1-3H3,(H,11,15)
InChIKeyAYVAWXZXCPABOE-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.06
Rot. Bonds3

About ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate

ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate (PubChem CID 155663388) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate
PubChem CID155663388
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Nameethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate
SMILESCCOC(=O)Nc1c(N)nc(OC)n(C)c1=O
InChIInChI=1S/C9H14N4O4/c1-4-17-9(15)11-5-6(10)12-8(16-3)13(2)7(5)14/h4,10H2,1-3H3,(H,11,15)
InChIKeyAYVAWXZXCPABOE-UHFFFAOYSA-N
XLogP-0.06
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate?
The IUPAC name of ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate (CID 155663388) is ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate is CCOC(=O)Nc1c(N)nc(OC)n(C)c1=O.
What is the InChIKey of ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate?
The InChIKey is AYVAWXZXCPABOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4-17-9(15)11-5-6(10)12-8(16-3)13(2)7(5)14/h4,10H2,1-3H3,(H,11,15).
What are the key properties of ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate?
ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate has a molecular weight of 242.23 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)carbamate is sourced from PubChem (CID 155663388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).