ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate

C12H17N3O3 — CID 136989680

IUPACethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1cc(=O)[nH]c(C)n1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(17)7-15(9-4-5-9)10-6-11(16)14-8(2)13-10/h6,9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyLGYCTZOELMFTFA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.61
Rot. Bonds5

About ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate

ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (PubChem CID 136989680) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
PubChem CID136989680
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CN(c1cc(=O)[nH]c(C)n1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-3-18-12(17)7-15(9-4-5-9)10-6-11(16)14-8(2)13-10/h6,9H,3-5,7H2,1-2H3,(H,13,14,16)
InChIKeyLGYCTZOELMFTFA-UHFFFAOYSA-N
XLogP0.61
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate 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

3-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016024
2-[(1,1-dioxothiolan-3-yl)-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958497
ethyl 2-[cyclopropyl-[4-(trifluoromethyl)-2-pyridinyl]amino]acetate
CID 66329484
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207
2-[ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 137015594
2-[cyclopropylmethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958479
4-[bis(cyclopropylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957917
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
ethyl 2-[cyclopropyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetate
CID 63618943
4-[2-aminoethyl(cyclobutyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136964631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate (CID 136989680) is ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is CCOC(=O)CN(c1cc(=O)[nH]c(C)n1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
The InChIKey is LGYCTZOELMFTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-12(17)7-15(9-4-5-9)10-6-11(16)14-8(2)13-10/h6,9H,3-5,7H2,1-2H3,(H,13,14,16).
What are the key properties of ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate?
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 136989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).