N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide

C26H32N6O2 — CID 24822518

IUPACN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C26H32N6O2/c33-23(20-7-3-1-4-8-20)19-28-24-13-15-27-26(31-24)30-22-11-9-21(10-12-22)29-25(34)14-18-32-16-5-2-6-17-32/h1,3-4,7-13,15,23,33H,2,5-6,14,16-19H2,(H,29,34)(H2,27,28,30,31)
InChIKeyVIONTDYDQRRZBY-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.18
Rot. Bonds10

About N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 24822518) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID24822518
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC NameN-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1ccc(Nc2nccc(NCC(O)c3ccccc3)n2)cc1
InChIInChI=1S/C26H32N6O2/c33-23(20-7-3-1-4-8-20)19-28-24-13-15-27-26(31-24)30-22-11-9-21(10-12-22)29-25(34)14-18-32-16-5-2-6-17-32/h1,3-4,7-13,15,23,33H,2,5-6,14,16-19H2,(H,29,34)(H2,27,28,30,31)
InChIKeyVIONTDYDQRRZBY-UHFFFAOYSA-N
XLogP4.18
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide (CID 24822518) is N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)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]-3-piperidin-1-ylpropanamide?
The InChIKey is VIONTDYDQRRZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c33-23(20-7-3-1-4-8-20)19-28-24-13-15-27-26(31-24)30-22-11-9-21(10-12-22)29-25(34)14-18-32-16-5-2-6-17-32/h1,3-4,7-13,15,23,33H,2,5-6,14,16-19H2,(H,29,34)(H2,27,28,30,31).
What are the key properties of N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[[4-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 460.58 g/mol, XLogP of 4.18, 10 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]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 24822518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).