4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine

C17H23N3O — CID 104663148

IUPAC4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2ccccc2OCCC)n1
InChIInChI=1S/C17H23N3O/c1-4-10-18-17-19-13(3)12-15(20-17)14-8-6-7-9-16(14)21-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19,20)
InChIKeyCLNGNGYZODFRQF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds7

About 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine

4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine (PubChem CID 104663148) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
PubChem CID104663148
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(-c2ccccc2OCCC)n1
InChIInChI=1S/C17H23N3O/c1-4-10-18-17-19-13(3)12-15(20-17)14-8-6-7-9-16(14)21-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19,20)
InChIKeyCLNGNGYZODFRQF-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-6-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663149
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175
6-(2-propoxyphenyl)-N-propylpyridazin-3-amine
CID 104663190
3-(2-propoxyphenyl)-N-propylpyrazin-2-amine
CID 104663160
4-(2-ethylphenoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80875948
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
4-(2,3-dimethylimidazol-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 114283486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine (CID 104663148) is 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(-c2ccccc2OCCC)n1.
What is the InChIKey of 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine?
The InChIKey is CLNGNGYZODFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-18-17-19-13(3)12-15(20-17)14-8-6-7-9-16(14)21-11-5-2/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine?
4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-propoxyphenyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 104663148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).