methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate

C15H15F2N3O2 — CID 75471916

IUPACmethyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)c(F)c1)c1cc(C)ncn1
InChIInChI=1S/C15H15F2N3O2/c1-10-5-14(19-9-18-10)20(8-15(21)22-2)7-11-3-4-12(16)13(17)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyCDGFVSQNQKULNG-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate

methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate (PubChem CID 75471916) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate
PubChem CID75471916
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CN(Cc1ccc(F)c(F)c1)c1cc(C)ncn1
InChIInChI=1S/C15H15F2N3O2/c1-10-5-14(19-9-18-10)20(8-15(21)22-2)7-11-3-4-12(16)13(17)6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyCDGFVSQNQKULNG-UHFFFAOYSA-N
XLogP2.24
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate (CID 75471916) is methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate is COC(=O)CN(Cc1ccc(F)c(F)c1)c1cc(C)ncn1.
What is the InChIKey of methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is CDGFVSQNQKULNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-10-5-14(19-9-18-10)20(8-15(21)22-2)7-11-3-4-12(16)13(17)6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate?
methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 307.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-difluorophenyl)methyl-(6-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 75471916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).