4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol

C22H23N3O2 — CID 122462241

IUPAC4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol
SMILESC=C(CCCc1ccc(-c2cnc(OC)nc2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-16(25-20-10-12-21(26)13-11-20)4-3-5-17-6-8-18(9-7-17)19-14-23-22(27-2)24-15-19/h6-15,25-26H,1,3-5H2,2H3
InChIKeyLTGCWOXTCSEVKD-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.81
Rot. Bonds8

About 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol

4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol (PubChem CID 122462241) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol.

Molecular Properties

Compound Name4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol
PubChem CID122462241
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol
SMILESC=C(CCCc1ccc(-c2cnc(OC)nc2)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-16(25-20-10-12-21(26)13-11-20)4-3-5-17-6-8-18(9-7-17)19-14-23-22(27-2)24-15-19/h6-15,25-26H,1,3-5H2,2H3
InChIKeyLTGCWOXTCSEVKD-UHFFFAOYSA-N
XLogP4.81
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]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

4-[5-(4-pyridin-3-ylphenyl)pent-1-en-2-ylamino]phenol
CID 122462323
4-(2-methoxypyrimidin-5-yl)phenol
CID 91659211
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
3-(2-methoxypyrimidin-5-yl)-N-(4-methylphenyl)propanamide
CID 110475232
4-[4-(2-methoxyethyl)phenyl]phenol
CID 174937616
[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea
CID 69125604
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[3-[4-(4-propylphenyl)phenyl]propyl]phenol
CID 59265255
1-(4-methoxypent-4-enyl)-4-methylbenzene
CID 159520064
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
CID 104862530
4-[4-(6-trimethylsilylhexyl)phenyl]phenol
CID 19763846

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol?
The IUPAC name of 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol (CID 122462241) is 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol.
What is the SMILES notation for 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol?
The canonical SMILES for 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol is C=C(CCCc1ccc(-c2cnc(OC)nc2)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol?
The InChIKey is LTGCWOXTCSEVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(25-20-10-12-21(26)13-11-20)4-3-5-17-6-8-18(9-7-17)19-14-23-22(27-2)24-15-19/h6-15,25-26H,1,3-5H2,2H3.
What are the key properties of 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol?
4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol has a molecular weight of 361.45 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-methoxypyrimidin-5-yl)phenyl]pent-1-en-2-ylamino]phenol is sourced from PubChem (CID 122462241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).