2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

C25H31N5O2 — CID 58603376

IUPAC2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCOc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O
InChIInChI=1S/C25H31N5O2/c1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19/h3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29)/t18-/m0/s1
InChIKeyUNFDFZLHHHFOEY-SFHVURJKSA-N
MW433.56 g/mol
LogP3.31
Rot. Bonds8

About 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol

2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 58603376) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
PubChem CID58603376
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
SMILESCOc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O
InChIInChI=1S/C25H31N5O2/c1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19/h3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29)/t18-/m0/s1
InChIKeyUNFDFZLHHHFOEY-SFHVURJKSA-N
XLogP3.31
TPSA82.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-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 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol (CID 58603376) is 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is COc1ccc(CCNc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.
What is the InChIKey of 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is UNFDFZLHHHFOEY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-18-16-26-12-13-30(18)17-20-4-3-5-21(14-20)22-9-11-28-25(29-22)27-10-8-19-6-7-24(32-2)23(31)15-19/h3-7,9,11,14-15,18,26,31H,8,10,12-13,16-17H2,1-2H3,(H,27,28,29)/t18-/m0/s1.
What are the key properties of 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol?
2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 433.56 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-[[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 58603376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).