3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol

C20H28N4O — CID 56880401

IUPAC3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
SMILESCCN(C)c1cc(-c2cc(O)cc(CCC3CCCCN3)c2)ncn1
InChIInChI=1S/C20H28N4O/c1-3-24(2)20-13-19(22-14-23-20)16-10-15(11-18(25)12-16)7-8-17-6-4-5-9-21-17/h10-14,17,21,25H,3-9H2,1-2H3
InChIKeyDUXMEPSMXOLZDT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.38
Rot. Bonds6

About 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol

3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol (PubChem CID 56880401) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol.

Molecular Properties

Compound Name3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
PubChem CID56880401
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
SMILESCCN(C)c1cc(-c2cc(O)cc(CCC3CCCCN3)c2)ncn1
InChIInChI=1S/C20H28N4O/c1-3-24(2)20-13-19(22-14-23-20)16-10-15(11-18(25)12-16)7-8-17-6-4-5-9-21-17/h10-14,17,21,25H,3-9H2,1-2H3
InChIKeyDUXMEPSMXOLZDT-UHFFFAOYSA-N
XLogP3.38
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95552841
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-(1-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95708911
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
3-(1-methyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95722396

Frequently Asked Questions

What is the IUPAC name of 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol?
The IUPAC name of 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol (CID 56880401) is 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol.
What is the SMILES notation for 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol?
The canonical SMILES for 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol is CCN(C)c1cc(-c2cc(O)cc(CCC3CCCCN3)c2)ncn1.
What is the InChIKey of 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol?
The InChIKey is DUXMEPSMXOLZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-24(2)20-13-19(22-14-23-20)16-10-15(11-18(25)12-16)7-8-17-6-4-5-9-21-17/h10-14,17,21,25H,3-9H2,1-2H3.
What are the key properties of 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol?
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol has a molecular weight of 340.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol is sourced from PubChem (CID 56880401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).