2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C17H23N3O — CID 116776116

IUPAC2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)c2ccccc2)nc(C)c1C
InChIInChI=1S/C17H23N3O/c1-5-18-16-12(3)13(4)19-17(20-16)15(21-6-2)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyKPDDVLGDBPFFCW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds6

About 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 116776116) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID116776116
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(C(OCC)c2ccccc2)nc(C)c1C
InChIInChI=1S/C17H23N3O/c1-5-18-16-12(3)13(4)19-17(20-16)15(21-6-2)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyKPDDVLGDBPFFCW-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
3-[ethoxy(phenyl)methyl]-N-propyl-1,2,4-oxadiazol-5-amine
CID 116778251
N-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidin-4-amine
CID 116775791
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
1-[2-[ethoxy(phenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 116774268
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
6-N-ethyl-2,5-dimethyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80798116

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 116776116) is 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(C(OCC)c2ccccc2)nc(C)c1C.
What is the InChIKey of 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is KPDDVLGDBPFFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-18-16-12(3)13(4)19-17(20-16)15(21-6-2)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.65, 6 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-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 116776116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).