6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine

C17H22ClN3O2 — CID 133431138

IUPAC6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CC(C)CNc2cc(Cl)nc(C)n2)cc1OC
InChIInChI=1S/C17H22ClN3O2/c1-11(10-19-17-9-16(18)20-12(2)21-17)7-13-5-6-14(22-3)15(8-13)23-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20,21)
InChIKeyIYXAGZZBZDGSSF-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.75
Rot. Bonds7

About 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine

6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine (PubChem CID 133431138) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
PubChem CID133431138
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(CC(C)CNc2cc(Cl)nc(C)n2)cc1OC
InChIInChI=1S/C17H22ClN3O2/c1-11(10-19-17-9-16(18)20-12(2)21-17)7-13-5-6-14(22-3)15(8-13)23-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20,21)
InChIKeyIYXAGZZBZDGSSF-UHFFFAOYSA-N
XLogP3.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
CID 133431166
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
CID 133431137
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,6-dimethylpyrimidin-4-amine
CID 133292932
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
4-N-(3-chloro-4-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868147
6-chloro-2-methyl-N-(2-methylsulfanylpropyl)pyrimidin-4-amine
CID 115756052
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine (CID 133431138) is 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine is COc1ccc(CC(C)CNc2cc(Cl)nc(C)n2)cc1OC.
What is the InChIKey of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine?
The InChIKey is IYXAGZZBZDGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11(10-19-17-9-16(18)20-12(2)21-17)7-13-5-6-14(22-3)15(8-13)23-4/h5-6,8-9,11H,7,10H2,1-4H3,(H,19,20,21).
What are the key properties of 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine has a molecular weight of 335.84 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 133431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).