2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol

C19H18ClFN4O — CID 143258465

IUPAC2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol
SMILESCCc1nc(-c2ccc(F)cc2)nc(Nc2ccc(O)c(Cl)c2)c1NC
InChIInChI=1S/C19H18ClFN4O/c1-3-15-17(22-2)19(23-13-8-9-16(26)14(20)10-13)25-18(24-15)11-4-6-12(21)7-5-11/h4-10,22,26H,3H2,1-2H3,(H,23,24,25)
InChIKeyZKXHCCOSTVODLC-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.99
Rot. Bonds5

About 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol

2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol (PubChem CID 143258465) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol
PubChem CID143258465
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol
SMILESCCc1nc(-c2ccc(F)cc2)nc(Nc2ccc(O)c(Cl)c2)c1NC
InChIInChI=1S/C19H18ClFN4O/c1-3-15-17(22-2)19(23-13-8-9-16(26)14(20)10-13)25-18(24-15)11-4-6-12(21)7-5-11/h4-10,22,26H,3H2,1-2H3,(H,23,24,25)
InChIKeyZKXHCCOSTVODLC-UHFFFAOYSA-N
XLogP4.99
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol (CID 143258465) is 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol is CCc1nc(-c2ccc(F)cc2)nc(Nc2ccc(O)c(Cl)c2)c1NC.
What is the InChIKey of 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol?
The InChIKey is ZKXHCCOSTVODLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-3-15-17(22-2)19(23-13-8-9-16(26)14(20)10-13)25-18(24-15)11-4-6-12(21)7-5-11/h4-10,22,26H,3H2,1-2H3,(H,23,24,25).
What are the key properties of 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol?
2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol has a molecular weight of 372.83 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[6-ethyl-2-(4-fluorophenyl)-5-(methylamino)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 143258465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).