5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine

C23H28N6O — CID 95806723

IUPAC5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C23H28N6O/c1-25-22-18(5-3-11-26-22)15-29-12-4-6-17(14-29)21-20(13-27-23(24)28-21)16-7-9-19(30-2)10-8-16/h3,5,7-11,13,17H,4,6,12,14-15H2,1-2H3,(H,25,26)(H2,24,27,28)/t17-/m1/s1
InChIKeyBJMGYICUKMKQMB-QGZVFWFLSA-N
MW404.52 g/mol
LogP3.55
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine

5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 95806723) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID95806723
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1
InChIInChI=1S/C23H28N6O/c1-25-22-18(5-3-11-26-22)15-29-12-4-6-17(14-29)21-20(13-27-23(24)28-21)16-7-9-19(30-2)10-8-16/h3,5,7-11,13,17H,4,6,12,14-15H2,1-2H3,(H,25,26)(H2,24,27,28)/t17-/m1/s1
InChIKeyBJMGYICUKMKQMB-QGZVFWFLSA-N
XLogP3.55
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[(3S)-1-(1H-indol-5-ylmethyl)piperidin-3-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 95806761
1-[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110248860
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
1-[(3S)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 95806534
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95806590
[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 110248847
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 118709184
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 129456810
5-(3-fluorophenyl)-4-[(2R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95837178
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine (CID 95806723) is 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine is CNc1ncccc1CN1CCC[C@@H](c2nc(N)ncc2-c2ccc(OC)cc2)C1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is BJMGYICUKMKQMB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N6O/c1-25-22-18(5-3-11-26-22)15-29-12-4-6-17(14-29)21-20(13-27-23(24)28-21)16-7-9-19(30-2)10-8-16/h3,5,7-11,13,17H,4,6,12,14-15H2,1-2H3,(H,25,26)(H2,24,27,28)/t17-/m1/s1.
What are the key properties of 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine?
5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 404.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-[(3R)-1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 95806723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).