N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine

C15H17F2N3O2 — CID 133404217

IUPACN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
SMILESCCOc1cccc(CNc2ncc(C)cn2)c1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-3-21-12-6-4-5-11(13(12)22-14(16)17)9-20-15-18-7-10(2)8-19-15/h4-8,14H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyDCGBPELUHVUHBD-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.40
Rot. Bonds7

About N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine

N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine (PubChem CID 133404217) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
PubChem CID133404217
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
SMILESCCOc1cccc(CNc2ncc(C)cn2)c1OC(F)F
InChIInChI=1S/C15H17F2N3O2/c1-3-21-12-6-4-5-11(13(12)22-14(16)17)9-20-15-18-7-10(2)8-19-15/h4-8,14H,3,9H2,1-2H3,(H,18,19,20)
InChIKeyDCGBPELUHVUHBD-UHFFFAOYSA-N
XLogP3.40
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine 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 N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine (CID 133404217) is N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine is CCOc1cccc(CNc2ncc(C)cn2)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine?
The InChIKey is DCGBPELUHVUHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-3-21-12-6-4-5-11(13(12)22-14(16)17)9-20-15-18-7-10(2)8-19-15/h4-8,14H,3,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine?
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine has a molecular weight of 309.32 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133404217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).