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

C11H15N3O3 — CID 126849904

IUPACmethyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)6-12-10-5-8(13-7-14-10)9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyBIQLSTVMKQKJPJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.91
Rot. Bonds4

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

methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate (PubChem CID 126849904) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate
PubChem CID126849904
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C2CCCO2)ncn1
InChIInChI=1S/C11H15N3O3/c1-16-11(15)6-12-10-5-8(13-7-14-10)9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13,14)
InChIKeyBIQLSTVMKQKJPJ-UHFFFAOYSA-N
XLogP0.91
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R)-oxolan-2-yl]pyrimidine
CID 134863702
6-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 126848845
4-[3-(methylamino)azetidin-1-yl]-6-[(2S)-oxolan-2-yl]pyrimidin-2-amine
CID 44198006
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-[(2S)-oxolan-2-yl]pyrimidin-2-amine
CID 44198007
4-[3-(methylamino)azetidin-1-yl]-6-[(2R)-oxolan-2-yl]pyrimidin-2-amine
CID 44198008
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-[(2R)-oxolan-2-yl]pyrimidin-2-amine
CID 44198009
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-[(2S)-oxolan-2-yl]pyrimidin-2-amine
CID 44198272
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740336
4-[3-(Methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 66740771
4-[3-(Methylamino)pyrrolidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 69094719
2,4-Bis(oxolan-2-yl)pyrimidine
CID 69115881
4-[3-Methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 74948760

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate (CID 126849904) is methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(C2CCCO2)ncn1.
What is the InChIKey of methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate?
The InChIKey is BIQLSTVMKQKJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-11(15)6-12-10-5-8(13-7-14-10)9-3-2-4-17-9/h5,7,9H,2-4,6H2,1H3,(H,12,13,14).
What are the key properties of methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate?
methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(oxolan-2-yl)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 126849904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).