methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate

C13H19N3O2 — CID 116978026

IUPACmethyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(C2CCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-16(9-12(17)18-2)13-14-7-11(8-15-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGKBMFTQUYDTWIF-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.74
Rot. Bonds4

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

methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate (PubChem CID 116978026) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate
PubChem CID116978026
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(C2CCCC2)cn1
InChIInChI=1S/C13H19N3O2/c1-16(9-12(17)18-2)13-14-7-11(8-15-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyGKBMFTQUYDTWIF-UHFFFAOYSA-N
XLogP1.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-bromopyrimidin-2-yl)-methylamino]acetate
CID 63872672
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
methyl 2-[methyl-(5-pyridin-2-ylpyrimidin-2-yl)amino]acetate
CID 116978022
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
3-[(5-cyclobutylpyrimidin-2-yl)-methylamino]propanenitrile
CID 116978010
methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
CID 116975801
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
methyl 5-[4-(2-methoxycarbonylpyrimidin-5-yl)cyclohexyl]pyrimidine-2-carboxylate
CID 170080455
ethyl 2-[(5-tert-butylpyrimidin-2-yl)-methylamino]acetate
CID 58333113
2-[(5-bromopyrimidin-2-yl)-methylamino]-N-methylacetamide
CID 63873061
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate (CID 116978026) is methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate is COC(=O)CN(C)c1ncc(C2CCCC2)cn1.
What is the InChIKey of methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate?
The InChIKey is GKBMFTQUYDTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(9-12(17)18-2)13-14-7-11(8-15-13)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate?
methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate has a molecular weight of 249.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopentylpyrimidin-2-yl)-methylamino]acetate is sourced from PubChem (CID 116978026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).