4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol

C20H19N3O — CID 766801

IUPAC4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol
SMILESC=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(O)cc1
InChIInChI=1S/C20H19N3O/c1-3-7-18-14(2)21-19(15-8-5-4-6-9-15)23-20(18)22-16-10-12-17(24)13-11-16/h3-6,8-13,24H,1,7H2,2H3,(H,21,22,23)
InChIKeyWEHGHHGTLLLURL-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.63
Rot. Bonds5

About 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol

4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol (PubChem CID 766801) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol
PubChem CID766801
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol
SMILESC=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(O)cc1
InChIInChI=1S/C20H19N3O/c1-3-7-18-14(2)21-19(15-8-5-4-6-9-15)23-20(18)22-16-10-12-17(24)13-11-16/h3-6,8-13,24H,1,7H2,2H3,(H,21,22,23)
InChIKeyWEHGHHGTLLLURL-UHFFFAOYSA-N
XLogP4.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol?
The IUPAC name of 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol (CID 766801) is 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol?
The canonical SMILES for 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol is C=CCc1c(C)nc(-c2ccccc2)nc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol?
The InChIKey is WEHGHHGTLLLURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-3-7-18-14(2)21-19(15-8-5-4-6-9-15)23-20(18)22-16-10-12-17(24)13-11-16/h3-6,8-13,24H,1,7H2,2H3,(H,21,22,23).
What are the key properties of 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol?
4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol has a molecular weight of 317.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-phenyl-5-prop-2-enylpyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 766801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).