methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate

C8H10ClN3O2 — CID 105370376

IUPACmethyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncncc1Cl
InChIInChI=1S/C8H10ClN3O2/c1-12(4-7(13)14-2)8-6(9)3-10-5-11-8/h3,5H,4H2,1-2H3
InChIKeyDERRMVSGSPEGEK-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.74
Rot. Bonds3

About methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate

methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate (PubChem CID 105370376) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
PubChem CID105370376
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Namemethyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncncc1Cl
InChIInChI=1S/C8H10ClN3O2/c1-12(4-7(13)14-2)8-6(9)3-10-5-11-8/h3,5H,4H2,1-2H3
InChIKeyDERRMVSGSPEGEK-UHFFFAOYSA-N
XLogP0.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]acetate
CID 79734650
N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
CID 105369023
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007500
2-[(5-aminopyrimidin-4-yl)-methylamino]acetic acid
CID 79918572
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
methyl 2-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 102687114
methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
N'-(5-chloropyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107207100
methyl 2-[methyl-(9-methyl-8-oxo-7H-purin-6-yl)amino]acetate
CID 11357172
methyl 2-[(3-carbamothioylpyrazin-2-yl)-methylamino]acetate
CID 62683928
methyl 2-[methyl-(3-methyl-5-nitro-2-pyridinyl)amino]acetate
CID 62477602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate (CID 105370376) is methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate is COC(=O)CN(C)c1ncncc1Cl.
What is the InChIKey of methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate?
The InChIKey is DERRMVSGSPEGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-12(4-7(13)14-2)8-6(9)3-10-5-11-8/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate?
methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate has a molecular weight of 215.64 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloropyrimidin-4-yl)-methylamino]acetate is sourced from PubChem (CID 105370376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).