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

Related Compounds

1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
CID 75469869
2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669116
N-[(2-ethylphenyl)methyl]-5-methylpyrimidin-2-amine
CID 64693238
4-[[[2-(difluoromethoxy)-3-ethoxyphenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122006031
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119816495
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
N-[[2-(difluoromethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 112610199
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 63208632
1-[4-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 131963379
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120936762

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).