N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine

C17H23N3O2 — CID 133292932

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CC(C)Nc2cc(C)nc(C)n2)cc1OC
InChIInChI=1S/C17H23N3O2/c1-11(19-17-9-12(2)18-13(3)20-17)8-14-6-7-15(21-4)16(10-14)22-5/h6-7,9-11H,8H2,1-5H3,(H,18,19,20)
InChIKeyPHGXSJGFGKBSCD-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 133292932) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
PubChem CID133292932
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CC(C)Nc2cc(C)nc(C)n2)cc1OC
InChIInChI=1S/C17H23N3O2/c1-11(19-17-9-12(2)18-13(3)20-17)8-14-6-7-15(21-4)16(10-14)22-5/h6-7,9-11H,8H2,1-5H3,(H,18,19,20)
InChIKeyPHGXSJGFGKBSCD-UHFFFAOYSA-N
XLogP3.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907124
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
N-[1-(4-fluorophenyl)propan-2-yl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66326924
4-N-butan-2-yl-6-N-(3,4-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868353
4-bromo-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]aniline
CID 43101384
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-4-iodoaniline
CID 43124291
2-N-butan-2-yl-4-N-[(3,4-dimethoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112909090
2-[4-[1-[(2,6-dimethylpyrimidin-4-yl)amino]ethyl]-2-methoxyphenoxy]ethanol
CID 51086959
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
1-(3,4-dimethoxyphenyl)-N-prop-2-ynylpropan-2-amine
CID 43200513
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine (CID 133292932) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine is COc1ccc(CC(C)Nc2cc(C)nc(C)n2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is PHGXSJGFGKBSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11(19-17-9-12(2)18-13(3)20-17)8-14-6-7-15(21-4)16(10-14)22-5/h6-7,9-11H,8H2,1-5H3,(H,18,19,20).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 133292932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).