ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate

C10H12N4O2 — CID 107544034

IUPACethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nccc(C#N)n1
InChIInChI=1S/C10H12N4O2/c1-3-16-9(15)7-14(2)10-12-5-4-8(6-11)13-10/h4-5H,3,7H2,1-2H3
InChIKeyPDJDEBJPXQJIFY-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.35
Rot. Bonds4

About ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate

ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate (PubChem CID 107544034) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
PubChem CID107544034
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Nameethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1nccc(C#N)n1
InChIInChI=1S/C10H12N4O2/c1-3-16-9(15)7-14(2)10-12-5-4-8(6-11)13-10/h4-5H,3,7H2,1-2H3
InChIKeyPDJDEBJPXQJIFY-UHFFFAOYSA-N
XLogP0.35
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
ethyl 2-[(2-cyano-4-pyridinyl)-methylamino]acetate
CID 55210694
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107543783
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
CID 107544126
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
2-[methyl(prop-2-enyl)amino]pyrimidine-4-carbonitrile
CID 107544982
ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
CID 58333113
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate (CID 107544034) is ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate is CCOC(=O)CN(C)c1nccc(C#N)n1.
What is the InChIKey of ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate?
The InChIKey is PDJDEBJPXQJIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-16-9(15)7-14(2)10-12-5-4-8(6-11)13-10/h4-5H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate?
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate has a molecular weight of 220.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 107544034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).