ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate

C13H18ClN3O2 — CID 80656819

IUPACethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(Cc1nc(C)cc(Cl)n1)C1CC1
InChIInChI=1S/C13H18ClN3O2/c1-3-19-13(18)8-17(10-4-5-10)7-12-15-9(2)6-11(14)16-12/h6,10H,3-5,7-8H2,1-2H3
InChIKeyJXACRHADVVPTLD-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.97
Rot. Bonds6

About ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate

ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate (PubChem CID 80656819) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
PubChem CID80656819
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Nameethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate
SMILESCCOC(=O)CN(Cc1nc(C)cc(Cl)n1)C1CC1
InChIInChI=1S/C13H18ClN3O2/c1-3-19-13(18)8-17(10-4-5-10)7-12-15-9(2)6-11(14)16-12/h6,10H,3-5,7-8H2,1-2H3
InChIKeyJXACRHADVVPTLD-UHFFFAOYSA-N
XLogP1.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate (CID 80656819) is ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate is CCOC(=O)CN(Cc1nc(C)cc(Cl)n1)C1CC1.
What is the InChIKey of ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate?
The InChIKey is JXACRHADVVPTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-19-13(18)8-17(10-4-5-10)7-12-15-9(2)6-11(14)16-12/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate?
ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate has a molecular weight of 283.76 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-cyclopropylamino]acetate is sourced from PubChem (CID 80656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).