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

C12H18N4O2 — CID 115264956

IUPACmethyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(N(C)C2CCC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-16(9-4-3-5-9)11-6-10(14-8-15-11)13-7-12(17)18-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyKZQHDBAAPPFMFN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.05
Rot. Bonds5

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

methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate (PubChem CID 115264956) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
PubChem CID115264956
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(N(C)C2CCC2)ncn1
InChIInChI=1S/C12H18N4O2/c1-16(9-4-3-5-9)11-6-10(14-8-15-11)13-7-12(17)18-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyKZQHDBAAPPFMFN-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
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-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate (CID 115264956) is methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(N(C)C2CCC2)ncn1.
What is the InChIKey of methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
The InChIKey is KZQHDBAAPPFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(9-4-3-5-9)11-6-10(14-8-15-11)13-7-12(17)18-2/h6,8-9H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate?
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 115264956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).