ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate

C12H16N4O2 — CID 107544090

IUPACethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C12H16N4O2/c1-4-16(8-11(17)18-5-2)12-14-9(3)6-10(7-13)15-12/h6H,4-5,8H2,1-3H3
InChIKeyDXPTZFVIJLJELS-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.05
Rot. Bonds5

About ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate

ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate (PubChem CID 107544090) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
PubChem CID107544090
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nameethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)c1nc(C)cc(C#N)n1
InChIInChI=1S/C12H16N4O2/c1-4-16(8-11(17)18-5-2)12-14-9(3)6-10(7-13)15-12/h6H,4-5,8H2,1-3H3
InChIKeyDXPTZFVIJLJELS-UHFFFAOYSA-N
XLogP1.05
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-ethoxyethyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544526
2-[ethyl(2-methoxyethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543890
2-[(4-cyano-6-methylpyrimidin-2-yl)-(2-methylpropyl)amino]acetamide
CID 107544113
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
2-[(3-aminophenyl)methyl-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552824
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
ethyl 2-[(4-methoxy-6-methylpyrimidin-2-yl)-propylamino]acetate
CID 112706252
3-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]butanoic acid
CID 107542951
2-[tert-butyl-(4-cyano-6-methylpyrimidin-2-yl)amino]acetic acid
CID 107543072
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
CID 61012125
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate (CID 107544090) is ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate is CCOC(=O)CN(CC)c1nc(C)cc(C#N)n1.
What is the InChIKey of ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate?
The InChIKey is DXPTZFVIJLJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-16(8-11(17)18-5-2)12-14-9(3)6-10(7-13)15-12/h6H,4-5,8H2,1-3H3.
What are the key properties of ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate?
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate has a molecular weight of 248.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate is sourced from PubChem (CID 107544090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).