[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol

C17H12ClF2N3O — CID 171660823

IUPAC[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol
SMILESNc1ncc(Cl)c(-c2ccc(F)c(C(O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C17H12ClF2N3O/c18-13-8-22-17(21)23-15(13)10-3-6-14(20)12(7-10)16(24)9-1-4-11(19)5-2-9/h1-8,16,24H,(H2,21,22,23)
InChIKeyVTVCXXACLCDHRY-UHFFFAOYSA-N
MW347.75 g/mol
LogP3.74
Rot. Bonds3

About [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol

[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol (PubChem CID 171660823) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol
PubChem CID171660823
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC Name[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol
SMILESNc1ncc(Cl)c(-c2ccc(F)c(C(O)c3ccc(F)cc3)c2)n1
InChIInChI=1S/C17H12ClF2N3O/c18-13-8-22-17(21)23-15(13)10-3-6-14(20)12(7-10)16(24)9-1-4-11(19)5-2-9/h1-8,16,24H,(H2,21,22,23)
InChIKeyVTVCXXACLCDHRY-UHFFFAOYSA-N
XLogP3.74
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
CID 129384462
(2,4-dichlorophenyl)-(4-fluorophenyl)methanol
CID 20506318
(5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanol
CID 61100029
(2-bromo-5-chloro-4-pyridinyl)-(2,5-difluorophenyl)methanol
CID 23114659
4-(3-chloro-5-fluorophenyl)-5-fluoropyrimidin-2-amine
CID 115504839
2-[6-(2-amino-5-chloropyrimidin-4-yl)-8-fluorocinnolin-3-yl]propan-2-ol
CID 176685568
5-chloro-4-(8-fluoro-4-methylquinolin-6-yl)pyrimidin-2-amine
CID 171660570
4-(2-aminopyrimidin-5-yl)-5-(4-fluorophenyl)pyrimidin-2-amine
CID 67983119
[4-chloro-2-(hydroxymethyl)phenyl]-(4-fluorophenyl)methanol
CID 141261609
5-bromo-4-chloro-6-(3-chloro-4-fluorophenyl)pyrimidin-2-amine
CID 91354372
N-[2-amino-1-(3-chloro-5-fluorophenyl)ethyl]-4-(2-amino-5-chloropyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 178056953
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol?
The IUPAC name of [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol (CID 171660823) is [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol?
The canonical SMILES for [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol is Nc1ncc(Cl)c(-c2ccc(F)c(C(O)c3ccc(F)cc3)c2)n1.
What is the InChIKey of [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol?
The InChIKey is VTVCXXACLCDHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c18-13-8-22-17(21)23-15(13)10-3-6-14(20)12(7-10)16(24)9-1-4-11(19)5-2-9/h1-8,16,24H,(H2,21,22,23).
What are the key properties of [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol?
[5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol has a molecular weight of 347.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-5-chloropyrimidin-4-yl)-2-fluorophenyl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 171660823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).