6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine

C14H17N3O — CID 119066119

IUPAC6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCOC(C)c1ccc(-c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H17N3O/c1-9-13(16-8-17-14(9)15)12-6-4-11(5-7-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17)
InChIKeyPEMMLDLXPFYUCW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.74
Rot. Bonds3

About 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine

6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine (PubChem CID 119066119) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine
PubChem CID119066119
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine
SMILESCOC(C)c1ccc(-c2ncnc(N)c2C)cc1
InChIInChI=1S/C14H17N3O/c1-9-13(16-8-17-14(9)15)12-6-4-11(5-7-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17)
InChIKeyPEMMLDLXPFYUCW-UHFFFAOYSA-N
XLogP2.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-methoxyethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 119069322
2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine
CID 162636219
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
4-(1-methoxyethyl)-2-methylaniline
CID 123996118
5-(1-methoxyethyl)-2-methylaniline
CID 102569795
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
CID 115504339
6-(4-methoxyphenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80974618
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
5-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 115503502

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine (CID 119066119) is 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine is COC(C)c1ccc(-c2ncnc(N)c2C)cc1.
What is the InChIKey of 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine?
The InChIKey is PEMMLDLXPFYUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-13(16-8-17-14(9)15)12-6-4-11(5-7-12)10(2)18-3/h4-8,10H,1-3H3,(H2,15,16,17).
What are the key properties of 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine?
6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methoxyethyl)phenyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 119066119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).