methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate

C11H14N4O2 — CID 107544126

IUPACmethyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nccc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-3-6-15(8-10(16)17-2)11-13-5-4-9(7-12)14-11/h4-5H,3,6,8H2,1-2H3
InChIKeyUEDFYWZAHSGKRV-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds5

About methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate

methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate (PubChem CID 107544126) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
PubChem CID107544126
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)c1nccc(C#N)n1
InChIInChI=1S/C11H14N4O2/c1-3-6-15(8-10(16)17-2)11-13-5-4-9(7-12)14-11/h4-5H,3,6,8H2,1-2H3
InChIKeyUEDFYWZAHSGKRV-UHFFFAOYSA-N
XLogP0.74
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
CID 107544124
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
methyl 2-[(4-aminopyrimidin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 116796877
methyl 2-[(6-cyano-3-pyridinyl)-ethylamino]acetate
CID 115487597
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
methyl 2-(3-cyano-N-propylanilino)acetate
CID 102815922
2-[piperidin-3-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate?
The IUPAC name of methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate (CID 107544126) is methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate is CCCN(CC(=O)OC)c1nccc(C#N)n1.
What is the InChIKey of methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate?
The InChIKey is UEDFYWZAHSGKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-6-15(8-10(16)17-2)11-13-5-4-9(7-12)14-11/h4-5H,3,6,8H2,1-2H3.
What are the key properties of methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate?
methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate has a molecular weight of 234.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-cyanopyrimidin-2-yl)-propylamino]acetate is sourced from PubChem (CID 107544126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).