N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride

C16H22ClN3O2 — CID 2969423

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(CCNc2nc(C)cc(C)n2)cc1OC.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11-9-12(2)19-16(18-11)17-8-7-13-5-6-14(20-3)15(10-13)21-4;/h5-6,9-10H,7-8H2,1-4H3,(H,17,18,19);1H
InChIKeyVVKZNVYYTQXKFA-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride

N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride (PubChem CID 2969423) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
PubChem CID2969423
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
SMILESCOc1ccc(CCNc2nc(C)cc(C)n2)cc1OC.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11-9-12(2)19-16(18-11)17-8-7-13-5-6-14(20-3)15(10-13)21-4;/h5-6,9-10H,7-8H2,1-4H3,(H,17,18,19);1H
InChIKeyVVKZNVYYTQXKFA-UHFFFAOYSA-N
XLogP3.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922586
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919423
6-N-[2-[[4,6-bis[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethyl]-2-N,4-N-bis[(3,4-dimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 177395359
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922544
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922553
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112922548

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride (CID 2969423) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride is COc1ccc(CCNc2nc(C)cc(C)n2)cc1OC.Cl.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
The InChIKey is VVKZNVYYTQXKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-11-9-12(2)19-16(18-11)17-8-7-13-5-6-14(20-3)15(10-13)21-4;/h5-6,9-10H,7-8H2,1-4H3,(H,17,18,19);1H.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 2969423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).