2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine

C16H22N4O2 — CID 75431201

IUPAC2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)Cc2nccc(N)n2)cc1OC
InChIInChI=1S/C16H22N4O2/c1-20(11-16-18-8-6-15(17)19-16)9-7-12-4-5-13(21-2)14(10-12)22-3/h4-6,8,10H,7,9,11H2,1-3H3,(H2,17,18,19)
InChIKeyWXIXONHBIWTPIH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.75
Rot. Bonds7

About 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine

2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine (PubChem CID 75431201) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
PubChem CID75431201
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)Cc2nccc(N)n2)cc1OC
InChIInChI=1S/C16H22N4O2/c1-20(11-16-18-8-6-15(17)19-16)9-7-12-4-5-13(21-2)14(10-12)22-3/h4-6,8,10H,7,9,11H2,1-3H3,(H2,17,18,19)
InChIKeyWXIXONHBIWTPIH-UHFFFAOYSA-N
XLogP1.75
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 115978129
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
N-[(2,6-dichlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376281
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 75371373
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-(3,4-dimethoxyphenyl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 2842584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine (CID 75431201) is 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine is COc1ccc(CCN(C)Cc2nccc(N)n2)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine?
The InChIKey is WXIXONHBIWTPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-20(11-16-18-8-6-15(17)19-16)9-7-12-4-5-13(21-2)14(10-12)22-3/h4-6,8,10H,7,9,11H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine?
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 75431201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).