N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide

C25H30N6O2 — CID 24822684

IUPACN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H30N6O2/c32-22(19-7-3-1-4-8-19)17-27-23-13-14-26-25(30-23)29-21-11-9-20(10-12-21)28-24(33)18-31-15-5-2-6-16-31/h1,3-4,7-14,22,32H,2,5-6,15-18H2,(H,28,33)(H2,26,27,29,30)
InChIKeyMIKPGJHYRRBNLX-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.79
Rot. Bonds9

About N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide

N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 24822684) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID24822684
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC NameN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C25H30N6O2/c32-22(19-7-3-1-4-8-19)17-27-23-13-14-26-25(30-23)29-21-11-9-20(10-12-21)28-24(33)18-31-15-5-2-6-16-31/h1,3-4,7-14,22,32H,2,5-6,15-18H2,(H,28,33)(H2,26,27,29,30)
InChIKeyMIKPGJHYRRBNLX-UHFFFAOYSA-N
XLogP3.79
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide with MolForge

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Related Compounds

N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 62
CID 5330248
2-(dimethylamino)-N-[3-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 24823021
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)phenyl)methanol
CID 25014844
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
2-(dimethylamino)-N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 44530120
2-[[2-[3-[4-[(Dimethylamino)methyl]phenyl]anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530121
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530274
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530275
2-[(2-Anilinopyrimidin-4-yl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 44530280
2-[[2-(3-Methylanilino)pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530284
2-[[2-(4-Methylanilino)pyrimidin-4-yl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 44530285

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide (CID 24822684) is N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is MIKPGJHYRRBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-22(19-7-3-1-4-8-19)17-27-23-13-14-26-25(30-23)29-21-11-9-20(10-12-21)28-24(33)18-31-15-5-2-6-16-31/h1,3-4,7-14,22,32H,2,5-6,15-18H2,(H,28,33)(H2,26,27,29,30).
What are the key properties of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 446.56 g/mol, XLogP of 3.79, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 24822684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).