methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate

C11H14N4O2 — CID 107544124

IUPACmethyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1nccc(C#N)n1)C(C)C
InChIInChI=1S/C11H14N4O2/c1-8(2)15(7-10(16)17-3)11-13-5-4-9(6-12)14-11/h4-5,8H,7H2,1-3H3
InChIKeyYSZJATFJJNIONS-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.74
Rot. Bonds4

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

methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate (PubChem CID 107544124) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
PubChem CID107544124
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(c1nccc(C#N)n1)C(C)C
InChIInChI=1S/C11H14N4O2/c1-8(2)15(7-10(16)17-3)11-13-5-4-9(6-12)14-11/h4-5,8H,7H2,1-3H3
InChIKeyYSZJATFJJNIONS-UHFFFAOYSA-N
XLogP0.74
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
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)-propylamino]acetate
CID 107544126
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
methyl 2-[(2-cyano-4-pyridinyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 63880461
ethyl 2-[(4-cyanopyrimidin-2-yl)-methylamino]acetate
CID 107544034
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetic acid
CID 107542879
2-[(4-cyanopyrimidin-2-yl)-ethylamino]acetamide
CID 107545435
2-[piperidin-2-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552788
2-[2-methoxyethyl(pentan-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544106
methyl 2-(2-chloro-4-cyano-N-propan-2-ylanilino)acetate
CID 63092627
2-[bis(2-methoxyethyl)amino]pyrimidine-4-carbonitrile
CID 107543844
methyl 2-[(4-carbamothioyl-2-pyridinyl)-propan-2-ylamino]acetate
CID 55007044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate (CID 107544124) is methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate is COC(=O)CN(c1nccc(C#N)n1)C(C)C.
What is the InChIKey of methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate?
The InChIKey is YSZJATFJJNIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8(2)15(7-10(16)17-3)11-13-5-4-9(6-12)14-11/h4-5,8H,7H2,1-3H3.
What are the key properties of methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate?
methyl 2-[(4-cyanopyrimidin-2-yl)-propan-2-ylamino]acetate has a molecular weight of 234.26 g/mol, XLogP of 0.74, 4 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)-propan-2-ylamino]acetate is sourced from PubChem (CID 107544124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).