methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate

C6H7N3O4 — CID 141247305

IUPACmethyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCOC(=O)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-13-6(12)9-3-4(10)7-2-8-5(3)11/h2H,1H3,(H,9,12)(H2,7,8,10,11)
InChIKeyNTMDFTQEZKTGFL-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.35
Rot. Bonds1

About methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate

methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate (PubChem CID 141247305) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
PubChem CID141247305
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Namemethyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCOC(=O)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C6H7N3O4/c1-13-6(12)9-3-4(10)7-2-8-5(3)11/h2H,1H3,(H,9,12)(H2,7,8,10,11)
InChIKeyNTMDFTQEZKTGFL-UHFFFAOYSA-N
XLogP-0.35
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The IUPAC name of methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate (CID 141247305) is methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The canonical SMILES for methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate is COC(=O)Nc1c(O)nc[nH]c1=O.
What is the InChIKey of methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
The InChIKey is NTMDFTQEZKTGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-13-6(12)9-3-4(10)7-2-8-5(3)11/h2H,1H3,(H,9,12)(H2,7,8,10,11).
What are the key properties of methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate?
methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate has a molecular weight of 185.14 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)carbamate is sourced from PubChem (CID 141247305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).