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

C8H9F2N3O2 — CID 126850038

IUPACmethyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C(F)F)ncn1
InChIInChI=1S/C8H9F2N3O2/c1-15-7(14)3-11-6-2-5(8(9)10)12-4-13-6/h2,4,8H,3H2,1H3,(H,11,12,13)
InChIKeySDZADKCOPGZKDY-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.00
Rot. Bonds4

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

methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate (PubChem CID 126850038) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate
PubChem CID126850038
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate
SMILESCOC(=O)CNc1cc(C(F)F)ncn1
InChIInChI=1S/C8H9F2N3O2/c1-15-7(14)3-11-6-2-5(8(9)10)12-4-13-6/h2,4,8H,3H2,1H3,(H,11,12,13)
InChIKeySDZADKCOPGZKDY-UHFFFAOYSA-N
XLogP1.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate (CID 126850038) is methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate is COC(=O)CNc1cc(C(F)F)ncn1.
What is the InChIKey of methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate?
The InChIKey is SDZADKCOPGZKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-15-7(14)3-11-6-2-5(8(9)10)12-4-13-6/h2,4,8H,3H2,1H3,(H,11,12,13).
What are the key properties of methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate?
methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate has a molecular weight of 217.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(difluoromethyl)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 126850038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).