ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate

C7H10N4O4 — CID 66758257

IUPACethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCCOC(=O)Nc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-15-7(14)9-3-4(12)10-6(8)11-5(3)13/h2H2,1H3,(H,9,14)(H4,8,10,11,12,13)
InChIKeyRQRTZWLAEIQXNZ-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.37
Rot. Bonds2

About ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate

ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate (PubChem CID 66758257) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
PubChem CID66758257
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Nameethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCCOC(=O)Nc1c(O)nc(N)[nH]c1=O
InChIInChI=1S/C7H10N4O4/c1-2-15-7(14)9-3-4(12)10-6(8)11-5(3)13/h2H2,1H3,(H,9,14)(H4,8,10,11,12,13)
InChIKeyRQRTZWLAEIQXNZ-UHFFFAOYSA-N
XLogP-0.37
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The IUPAC name of ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate (CID 66758257) is ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate.
What is the SMILES notation for ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The canonical SMILES for ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate is CCOC(=O)Nc1c(O)nc(N)[nH]c1=O.
What is the InChIKey of ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The InChIKey is RQRTZWLAEIQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-2-15-7(14)9-3-4(12)10-6(8)11-5(3)13/h2H2,1H3,(H,9,14)(H4,8,10,11,12,13).
What are the key properties of ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate has a molecular weight of 214.18 g/mol, XLogP of -0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate is sourced from PubChem (CID 66758257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).