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

C26H32N4O2 — CID 58199689

IUPAC4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCOc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1
InChIInChI=1S/C26H32N4O2/c1-19-17-27-14-15-30(19)18-21-8-11-25(32-2)23(16-21)24-12-13-28-26(29-24)5-3-4-20-6-9-22(31)10-7-20/h6-13,16,19,27,31H,3-5,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeyKZLRRWQKPXJACG-IBGZPJMESA-N
MW432.57 g/mol
LogP3.83
Rot. Bonds8

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

4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 58199689) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID58199689
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCOc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1
InChIInChI=1S/C26H32N4O2/c1-19-17-27-14-15-30(19)18-21-8-11-25(32-2)23(16-21)24-12-13-28-26(29-24)5-3-4-20-6-9-22(31)10-7-20/h6-13,16,19,27,31H,3-5,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeyKZLRRWQKPXJACG-IBGZPJMESA-N
XLogP3.83
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]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-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 58199689) is 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is KZLRRWQKPXJACG-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-17-27-14-15-30(19)18-21-8-11-25(32-2)23(16-21)24-12-13-28-26(29-24)5-3-4-20-6-9-22(31)10-7-20/h6-13,16,19,27,31H,3-5,14-15,17-18H2,1-2H3/t19-/m0/s1.
What are the key properties of 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 432.57 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 58199689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).