[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine

C14H17N3O — CID 116778455

IUPAC[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
SMILESCCOC(c1ccccc1)c1nccc(CN)n1
InChIInChI=1S/C14H17N3O/c1-2-18-13(11-6-4-3-5-7-11)14-16-9-8-12(10-15)17-14/h3-9,13H,2,10,15H2,1H3
InChIKeySKODLOMLCYSFTM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.06
Rot. Bonds5

About [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine

[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine (PubChem CID 116778455) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
PubChem CID116778455
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
SMILESCCOC(c1ccccc1)c1nccc(CN)n1
InChIInChI=1S/C14H17N3O/c1-2-18-13(11-6-4-3-5-7-11)14-16-9-8-12(10-15)17-14/h3-9,13H,2,10,15H2,1H3
InChIKeySKODLOMLCYSFTM-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
CID 116746101
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
2-[ethoxy(phenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 116775115
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363

Frequently Asked Questions

What is the IUPAC name of [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine?
The IUPAC name of [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine (CID 116778455) is [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine?
The canonical SMILES for [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine is CCOC(c1ccccc1)c1nccc(CN)n1.
What is the InChIKey of [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine?
The InChIKey is SKODLOMLCYSFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13(11-6-4-3-5-7-11)14-16-9-8-12(10-15)17-14/h3-9,13H,2,10,15H2,1H3.
What are the key properties of [2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine?
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.06, 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]pyrimidin-4-yl]methanamine is sourced from PubChem (CID 116778455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).