N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine

C17H23N3O2 — CID 133431166

IUPACN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(CC(C)CNc2ncc(C)cn2)cc1OC
InChIInChI=1S/C17H23N3O2/c1-12(9-18-17-19-10-13(2)11-20-17)7-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,18,19,20)
InChIKeyHMTIEPNEGHBVNR-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.09
Rot. Bonds7

About N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine

N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine (PubChem CID 133431166) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
PubChem CID133431166
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine
SMILESCOc1ccc(CC(C)CNc2ncc(C)cn2)cc1OC
InChIInChI=1S/C17H23N3O2/c1-12(9-18-17-19-10-13(2)11-20-17)7-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,18,19,20)
InChIKeyHMTIEPNEGHBVNR-UHFFFAOYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
6-chloro-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-methylpyrimidin-4-amine
CID 133431138
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-b]pyrazin-6-amine
CID 133431137
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyrimidine-5-carboxamide
CID 109248678
2-[[3-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carbonitrile
CID 133431142
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133431135
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
4-N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133431146

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine (CID 133431166) is N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine is COc1ccc(CC(C)CNc2ncc(C)cn2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine?
The InChIKey is HMTIEPNEGHBVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(9-18-17-19-10-13(2)11-20-17)7-14-5-6-15(21-3)16(8-14)22-4/h5-6,8,10-12H,7,9H2,1-4H3,(H,18,19,20).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine?
N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine has a molecular weight of 301.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 133431166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).