4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol

C19H20N4O2 — CID 44566061

IUPAC4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol
SMILESCCCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-3-13-12-20-19(22-15-6-10-17(25)11-7-15)23-18(13)21-14-4-8-16(24)9-5-14/h4-12,24-25H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeySDGDFZNDYAACDO-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.33
Rot. Bonds6

About 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol

4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol (PubChem CID 44566061) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol
PubChem CID44566061
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol
SMILESCCCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1
InChIInChI=1S/C19H20N4O2/c1-2-3-13-12-20-19(22-15-6-10-17(25)11-7-15)23-18(13)21-14-4-8-16(24)9-5-14/h4-12,24-25H,2-3H2,1H3,(H2,20,21,22,23)
InChIKeySDGDFZNDYAACDO-UHFFFAOYSA-N
XLogP4.33
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol (CID 44566061) is 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol is CCCc1cnc(Nc2ccc(O)cc2)nc1Nc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol?
The InChIKey is SDGDFZNDYAACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-3-13-12-20-19(22-15-6-10-17(25)11-7-15)23-18(13)21-14-4-8-16(24)9-5-14/h4-12,24-25H,2-3H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol?
4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol has a molecular weight of 336.40 g/mol, XLogP of 4.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-hydroxyanilino)-5-propylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 44566061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).