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

C12H18ClN3O2 — CID 80656944

IUPACmethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-5-16(8-12(17)18-3)7-11-14-9(2)6-10(13)15-11/h6H,4-5,7-8H2,1-3H3
InChIKeyOSQZTGOHLZIZJS-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.82
Rot. Bonds6

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

methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate (PubChem CID 80656944) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
PubChem CID80656944
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Namemethyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-4-5-16(8-12(17)18-3)7-11-14-9(2)6-10(13)15-11/h6H,4-5,7-8H2,1-3H3
InChIKeyOSQZTGOHLZIZJS-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate (CID 80656944) is methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1nc(C)cc(Cl)n1.
What is the InChIKey of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate?
The InChIKey is OSQZTGOHLZIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-5-16(8-12(17)18-3)7-11-14-9(2)6-10(13)15-11/h6H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate?
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate has a molecular weight of 271.75 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate is sourced from PubChem (CID 80656944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).