4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol

C21H30N4O — CID 72901600

IUPAC4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
SMILESCCCc1cc(N2CCC(NCCc3ccc(O)cc3)CC2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-3-4-19-15-21(24-16(2)23-19)25-13-10-18(11-14-25)22-12-9-17-5-7-20(26)8-6-17/h5-8,15,18,22,26H,3-4,9-14H2,1-2H3
InChIKeyZLBOGOPRTKQSHX-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.24
Rot. Bonds7

About 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol

4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol (PubChem CID 72901600) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
PubChem CID72901600
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol
SMILESCCCc1cc(N2CCC(NCCc3ccc(O)cc3)CC2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-3-4-19-15-21(24-16(2)23-19)25-13-10-18(11-14-25)22-12-9-17-5-7-20(26)8-6-17/h5-8,15,18,22,26H,3-4,9-14H2,1-2H3
InChIKeyZLBOGOPRTKQSHX-UHFFFAOYSA-N
XLogP3.24
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol (CID 72901600) is 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol is CCCc1cc(N2CCC(NCCc3ccc(O)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
The InChIKey is ZLBOGOPRTKQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-4-19-15-21(24-16(2)23-19)25-13-10-18(11-14-25)22-12-9-17-5-7-20(26)8-6-17/h5-8,15,18,22,26H,3-4,9-14H2,1-2H3.
What are the key properties of 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol?
4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol has a molecular weight of 354.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 72901600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).