2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C15H19N3O — CID 116775770

IUPAC2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(c1ccccc1)c1nc(C)cc(NC)n1
InChIInChI=1S/C15H19N3O/c1-4-19-14(12-8-6-5-7-9-12)15-17-11(2)10-13(16-3)18-15/h5-10,14H,4H2,1-3H3,(H,16,17,18)
InChIKeyWZLWTICMDQODST-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.95
Rot. Bonds5

About 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine

2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 116775770) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID116775770
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCOC(c1ccccc1)c1nc(C)cc(NC)n1
InChIInChI=1S/C15H19N3O/c1-4-19-14(12-8-6-5-7-9-12)15-17-11(2)10-13(16-3)18-15/h5-10,14H,4H2,1-3H3,(H,16,17,18)
InChIKeyWZLWTICMDQODST-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
3-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743875
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 116775770) is 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine is CCOC(c1ccccc1)c1nc(C)cc(NC)n1.
What is the InChIKey of 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is WZLWTICMDQODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-19-14(12-8-6-5-7-9-12)15-17-11(2)10-13(16-3)18-15/h5-10,14H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116775770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).