ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate

C10H13N3O3 — CID 102972424

IUPACethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(N)=O)nc1C
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)7-5-12-9(4-8(11)14)13-6(7)2/h5H,3-4H2,1-2H3,(H2,11,14)
InChIKeyPVWZIPUBGDWBOY-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.01
Rot. Bonds4

About ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate

ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate (PubChem CID 102972424) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
PubChem CID102972424
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(N)=O)nc1C
InChIInChI=1S/C10H13N3O3/c1-3-16-10(15)7-5-12-9(4-8(11)14)13-6(7)2/h5H,3-4H2,1-2H3,(H2,11,14)
InChIKeyPVWZIPUBGDWBOY-UHFFFAOYSA-N
XLogP-0.01
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-methyl-2-(methylsulfanylmethyl)pyrimidine-5-carboxylate
CID 102972473
ethyl 4-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 102972374
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-(cyclohexylsulfanylmethyl)-4-methylpyrimidine-5-carboxylate
CID 102972476
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
CID 94587533
ethyl 4-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103476111
ethyl 2-[(2-fluorophenyl)sulfanylmethyl]-4-methylpyrimidine-5-carboxylate
CID 102972384
ethyl 2-(3-ethyl-2-pyridinyl)-4-methylpyrimidine-5-carboxylate
CID 102972459
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
2-[5-[1-(ethylamino)ethyl]-4-methylpyrimidin-2-yl]acetamide
CID 62770494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate (CID 102972424) is ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC(N)=O)nc1C.
What is the InChIKey of ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate?
The InChIKey is PVWZIPUBGDWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-10(15)7-5-12-9(4-8(11)14)13-6(7)2/h5H,3-4H2,1-2H3,(H2,11,14).
What are the key properties of ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate has a molecular weight of 223.23 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-2-oxoethyl)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).