N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine

C15H17F2N3O2 — CID 133491052

IUPACN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2cc(C)ccc2OC(F)F)ncn1
InChIInChI=1S/C15H17F2N3O2/c1-3-21-14-7-13(19-9-20-14)18-8-11-6-10(2)4-5-12(11)22-15(16)17/h4-7,9,15H,3,8H2,1-2H3,(H,18,19,20)
InChIKeySHJLRSAADXXQRB-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.40
Rot. Bonds7

About N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine

N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine (PubChem CID 133491052) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
PubChem CID133491052
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2cc(C)ccc2OC(F)F)ncn1
InChIInChI=1S/C15H17F2N3O2/c1-3-21-14-7-13(19-9-20-14)18-8-11-6-10(2)4-5-12(11)22-15(16)17/h4-7,9,15H,3,8H2,1-2H3,(H,18,19,20)
InChIKeySHJLRSAADXXQRB-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

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Related Compounds

1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
4-N-[(2-methoxy-5-methylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265493
methyl 6-[[2-(difluoromethoxy)-5-methylphenyl]methylamino]-2-methylpyridine-3-carboxylate
CID 133419616
N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 66319450
6-(2,4-dimethylphenoxy)-N-ethylpyrimidin-4-amine
CID 80862829
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylaniline
CID 43765856
4-[6-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133492142
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
N-(6-ethoxypyrimidin-4-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303214
4-N-[(2,5-dimethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 115265489

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine (CID 133491052) is N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCc2cc(C)ccc2OC(F)F)ncn1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is SHJLRSAADXXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-3-21-14-7-13(19-9-20-14)18-8-11-6-10(2)4-5-12(11)22-15(16)17/h4-7,9,15H,3,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine?
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-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)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 133491052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).