3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C17H23N3O — CID 106793273

IUPAC3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11-7-8-15(16(10-11)21-4)17-19-12(2)14(6-5-9-18)13(3)20-17/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyWIRFSZDVKMYTLK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds5

About 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 106793273) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID106793273
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCOc1cc(C)ccc1-c1nc(C)c(CCCN)c(C)n1
InChIInChI=1S/C17H23N3O/c1-11-7-8-15(16(10-11)21-4)17-19-12(2)14(6-5-9-18)13(3)20-17/h7-8,10H,5-6,9,18H2,1-4H3
InChIKeyWIRFSZDVKMYTLK-UHFFFAOYSA-N
XLogP2.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]acetic acid
CID 106792870
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
[2-(2-methoxy-4-methylphenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 106793108
4-(2-methoxy-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 106793544
2-[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 106793197
2-(2-methoxy-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 106793002
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 107924268
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
4-amino-2-(2-methoxy-4-methylphenyl)-6-methylpyrimidine-5-carboxamide
CID 106793665
2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013044
2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106793012
[2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 106793124

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 106793273) is 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is COc1cc(C)ccc1-c1nc(C)c(CCCN)c(C)n1.
What is the InChIKey of 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is WIRFSZDVKMYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-7-8-15(16(10-11)21-4)17-19-12(2)14(6-5-9-18)13(3)20-17/h7-8,10H,5-6,9,18H2,1-4H3.
What are the key properties of 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 106793273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).