4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol

C15H14N4OS — CID 6539291

IUPAC4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(20)6-4-11/h3-8,20H,1-2H3,(H,16,18,19)
InChIKeyGDZTURHUKDAJGD-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.67
Rot. Bonds3

About 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol

4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol (PubChem CID 6539291) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
PubChem CID6539291
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
SMILESCc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1
InChIInChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(20)6-4-11/h3-8,20H,1-2H3,(H,16,18,19)
InChIKeyGDZTURHUKDAJGD-UHFFFAOYSA-N
XLogP3.67
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
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-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol (CID 6539291) is 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol is Cc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1.
What is the InChIKey of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
The InChIKey is GDZTURHUKDAJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9-14(21-10(2)17-9)13-7-8-16-15(19-13)18-11-3-5-12(20)6-4-11/h3-8,20H,1-2H3,(H,16,18,19).
What are the key properties of 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol?
4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol has a molecular weight of 298.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 6539291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).