N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate

C9H12N5O5- — CID 57371879

IUPACN-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate
SMILESCCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)[O-]
InChIInChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17)/p-1
InChIKeyCUKWVGFGIYCDRE-UHFFFAOYSA-M
MW270.22 g/mol
LogP-2.34
Rot. Bonds4

About N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate

N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate (PubChem CID 57371879) has the molecular formula C9H12N5O5- and a molecular weight of 270.22 g/mol. Its IUPAC name is N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate.

Molecular Properties

Compound NameN-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate
PubChem CID57371879
Molecular FormulaC9H12N5O5-
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC NameN-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate
SMILESCCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)[O-]
InChIInChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17)/p-1
InChIKeyCUKWVGFGIYCDRE-UHFFFAOYSA-M
XLogP-2.34
TPSA164.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-2.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pepteridine B
CID 146684613
5-Acetamido-2-amino-4,6-dihydroxypyrimidine
CID 14893054
N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinate
CID 101117450
N-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate
CID 139081844
1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-methylurea;hydrochloride
CID 24195757
1,3-Dibutyl-7,8-dihydropurin-8-ide-2,6-dione;hydroxymethanone;yttrium
CID 58819988
2-(9-methyl-6,8-dioxo-7H-purin-1-yl)acetic acid
CID 118436924
N-(6,8-dioxo-7-propyl-1,9-dihydropurin-2-yl)acetamide
CID 156392201
5-amino-4-hydroxy-1H-pyrimidin-6-one;N-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 158344063
ethyl N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]carbamate
CID 249311
1-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-1-methylurea
CID 426682
N-[4-(acetylamino)-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl]acetamide
CID 816949

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate?
The IUPAC name of N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate (CID 57371879) is N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate.
What is the SMILES notation for N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate?
The canonical SMILES for N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate is CCN(CC(=O)Nc1c(O)nc(N)[nH]c1=O)C(=O)[O-].
What is the InChIKey of N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate?
The InChIKey is CUKWVGFGIYCDRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13N5O5/c1-2-14(9(18)19)3-4(15)11-5-6(16)12-8(10)13-7(5)17/h2-3H2,1H3,(H,11,15)(H,18,19)(H4,10,12,13,16,17)/p-1.
What are the key properties of N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate?
N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate has a molecular weight of 270.22 g/mol, XLogP of -2.34, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)amino]-2-oxoethyl]-N-ethylcarbamate is sourced from PubChem (CID 57371879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).