3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

C17H23N3O — CID 62744903

IUPAC3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccccc2OC)nc1C
InChIInChI=1S/C17H23N3O/c1-12-14(9-7-11-18-3)13(2)20-17(19-12)15-8-5-6-10-16(15)21-4/h5-6,8,10,18H,7,9,11H2,1-4H3
InChIKeyWTTKDKSTTARGNN-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds6

About 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine

3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 62744903) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID62744903
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccccc2OC)nc1C
InChIInChI=1S/C17H23N3O/c1-12-14(9-7-11-18-3)13(2)20-17(19-12)15-8-5-6-10-16(15)21-4/h5-6,8,10,18H,7,9,11H2,1-4H3
InChIKeyWTTKDKSTTARGNN-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 62746134
N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
CID 117212505
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790857
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
3-[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 106849840
2-[2-(5-fluoro-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 79718495
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine (CID 62744903) is 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is CNCCCc1c(C)nc(-c2ccccc2OC)nc1C.
What is the InChIKey of 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is WTTKDKSTTARGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-14(9-7-11-18-3)13(2)20-17(19-12)15-8-5-6-10-16(15)21-4/h5-6,8,10,18H,7,9,11H2,1-4H3.
What are the key properties of 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine?
3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62744903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).