ethyl N-(5-methoxypyrimidin-2-yl)carbamate

C8H11N3O3 — CID 4159152

IUPACethyl N-(5-methoxypyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1ncc(OC)cn1
InChIInChI=1S/C8H11N3O3/c1-3-14-8(12)11-7-9-4-6(13-2)5-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyDLKSIZOWABSKKH-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.05
Rot. Bonds3

About ethyl N-(5-methoxypyrimidin-2-yl)carbamate

ethyl N-(5-methoxypyrimidin-2-yl)carbamate (PubChem CID 4159152) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl N-(5-methoxypyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-methoxypyrimidin-2-yl)carbamate
PubChem CID4159152
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl N-(5-methoxypyrimidin-2-yl)carbamate
SMILESCCOC(=O)Nc1ncc(OC)cn1
InChIInChI=1S/C8H11N3O3/c1-3-14-8(12)11-7-9-4-6(13-2)5-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12)
InChIKeyDLKSIZOWABSKKH-UHFFFAOYSA-N
XLogP1.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-(5-methoxypyrimidin-2-yl)carbamate 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

ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
ethyl N-(4,6-dimethylpyrimidin-2-yl)carbamate
CID 51056605
2-bromo-N-(5-methoxypyrimidin-2-yl)propanamide
CID 4658979
ethyl N-[2-(4-methylanilino)pyrimidin-5-yl]carbamate
CID 110178694
heptane;methyl N-(5-methylpyrimidin-2-yl)carbamate
CID 143703085
ethyl N-[2-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
CID 157074454
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid
CID 122092499
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl 2,3-dihydroxy-3-(5-methoxy-2-pyridinyl)propanoate
CID 171865893
ethyl N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]carbamate
CID 113034657

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-methoxypyrimidin-2-yl)carbamate?
The IUPAC name of ethyl N-(5-methoxypyrimidin-2-yl)carbamate (CID 4159152) is ethyl N-(5-methoxypyrimidin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-methoxypyrimidin-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-methoxypyrimidin-2-yl)carbamate is CCOC(=O)Nc1ncc(OC)cn1.
What is the InChIKey of ethyl N-(5-methoxypyrimidin-2-yl)carbamate?
The InChIKey is DLKSIZOWABSKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-14-8(12)11-7-9-4-6(13-2)5-10-7/h4-5H,3H2,1-2H3,(H,9,10,11,12).
What are the key properties of ethyl N-(5-methoxypyrimidin-2-yl)carbamate?
ethyl N-(5-methoxypyrimidin-2-yl)carbamate has a molecular weight of 197.19 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-methoxypyrimidin-2-yl)carbamate is sourced from PubChem (CID 4159152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).