methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate

C13H20N4O2 — CID 115264955

IUPACmethyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(N(C)C2CCCC2)ncn1
InChIInChI=1S/C13H20N4O2/c1-17(10-5-3-4-6-10)12-7-11(15-9-16-12)14-8-13(18)19-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyYVURDLYPMZDYPD-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate

methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate (PubChem CID 115264955) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
PubChem CID115264955
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(N(C)C2CCCC2)ncn1
InChIInChI=1S/C13H20N4O2/c1-17(10-5-3-4-6-10)12-7-11(15-9-16-12)14-8-13(18)19-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyYVURDLYPMZDYPD-UHFFFAOYSA-N
XLogP1.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 55151659
4-N-cyclobutyl-4-N-methyl-6-N-[2-methyl-1-(methylamino)propan-2-yl]pyrimidine-4,6-diamine
CID 115264462
methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate
CID 126849904
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-methyl-4-N-(4-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80799819
methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate
CID 126850165
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate (CID 115264955) is methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(N(C)C2CCCC2)ncn1.
What is the InChIKey of methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The InChIKey is YVURDLYPMZDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(10-5-3-4-6-10)12-7-11(15-9-16-12)14-8-13(18)19-2/h7,9-10H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate has a molecular weight of 264.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 115264955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).