4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine

C19H26N4O2 — CID 127244806

IUPAC4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H26N4O2/c1-20-19-21-10-9-15(22-19)16-6-4-5-11-23(16)13-14-7-8-17(24-2)18(12-14)25-3/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,21,22)
InChIKeyZIKGWIMRRZXZDB-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.26
Rot. Bonds6

About 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine

4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 127244806) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
PubChem CID127244806
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C19H26N4O2/c1-20-19-21-10-9-15(22-19)16-6-4-5-11-23(16)13-14-7-8-17(24-2)18(12-14)25-3/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,21,22)
InChIKeyZIKGWIMRRZXZDB-UHFFFAOYSA-N
XLogP3.26
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124951811
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826
N-methyl-4-[1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 127244807
N-methyl-4-[(2R)-1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
CID 124966086
N-methyl-4-[(2R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125015958
4-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine
CID 124965793
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
(2S)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-pyridin-4-ylazepane
CID 97252903
4-[(2R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136850242

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine (CID 127244806) is 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine is CNc1nccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
The InChIKey is ZIKGWIMRRZXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-20-19-21-10-9-15(22-19)16-6-4-5-11-23(16)13-14-7-8-17(24-2)18(12-14)25-3/h7-10,12,16H,4-6,11,13H2,1-3H3,(H,20,21,22).
What are the key properties of 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine?
4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 342.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 127244806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).