N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine

C17H23N3O — CID 133460238

IUPACN-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine
SMILESCCOc1ccccc1CN(C)c1cc(CC)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-15-11-17(19-13(3)18-15)20(4)12-14-9-7-8-10-16(14)21-6-2/h7-11H,5-6,12H2,1-4H3
InChIKeyLUXOWCCIMQLNTL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds6

About N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine

N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 133460238) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine
PubChem CID133460238
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine
SMILESCCOc1ccccc1CN(C)c1cc(CC)nc(C)n1
InChIInChI=1S/C17H23N3O/c1-5-15-11-17(19-13(3)18-15)20(4)12-14-9-7-8-10-16(14)21-6-2/h7-11H,5-6,12H2,1-4H3
InChIKeyLUXOWCCIMQLNTL-UHFFFAOYSA-N
XLogP3.38
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine (CID 133460238) is N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine is CCOc1ccccc1CN(C)c1cc(CC)nc(C)n1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is LUXOWCCIMQLNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-15-11-17(19-13(3)18-15)20(4)12-14-9-7-8-10-16(14)21-6-2/h7-11H,5-6,12H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine?
N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-6-ethyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133460238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).