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

C12H17N3O3 — CID 126850165

IUPACmethyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C2CCOCC2)ncn1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)7-13-11-6-10(14-8-15-11)9-2-4-18-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyVVJRNIYJVMPICS-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds4

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

methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate (PubChem CID 126850165) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate
PubChem CID126850165
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C2CCOCC2)ncn1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)7-13-11-6-10(14-8-15-11)9-2-4-18-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyVVJRNIYJVMPICS-UHFFFAOYSA-N
XLogP0.96
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-isopropyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine
CID 72851576
6-(cis-3-aminocyclobutyl)-N-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 91767768
6-(cis-3-aminocyclobutyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine
CID 91771634
6-(3-aminocyclobutyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 91792343
ethyl (2S)-1-[6-(2-aminoethyl)-2-methylpyrimidin-4-yl]piperidine-2-carboxylate
CID 95190575
2,6-diethyl-N-[(4-methoxyoxan-4-yl)methyl]pyrimidin-4-amine
CID 132389781
6-(2-methylpropyl)-N-[(2S)-6-oxaspiro[2.5]octan-2-yl]pyrimidin-4-amine
CID 164642376
Methyl 4-piperidin-4-ylpyrimidine-2-carboxylate;2,2,2-trifluoroacetic acid
CID 177761495
(2R)-1-[(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidin-1-yl]-2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]propan-1-one
CID 178126484
6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55262231
N-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 103081505
Methyl 2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-4-methylpentanoate
CID 113344358

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate (CID 126850165) is methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(C2CCOCC2)ncn1.
What is the InChIKey of methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate?
The InChIKey is VVJRNIYJVMPICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(16)7-13-11-6-10(14-8-15-11)9-2-4-18-5-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate?
methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(oxan-4-yl)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 126850165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).