4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol

C17H13F2N3O — CID 122186118

IUPAC4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol
SMILESCc1ccc(-c2nc(N)ncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C17H13F2N3O/c1-9-2-4-10(5-3-9)15-12(8-21-17(20)22-15)11-6-13(18)16(23)14(19)7-11/h2-8,23H,1H3,(H2,20,21,22)
InChIKeyHPQKQSNTXXYIDR-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.69
Rot. Bonds2

About 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol

4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol (PubChem CID 122186118) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol
PubChem CID122186118
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol
SMILESCc1ccc(-c2nc(N)ncc2-c2cc(F)c(O)c(F)c2)cc1
InChIInChI=1S/C17H13F2N3O/c1-9-2-4-10(5-3-9)15-12(8-21-17(20)22-15)11-6-13(18)16(23)14(19)7-11/h2-8,23H,1H3,(H2,20,21,22)
InChIKeyHPQKQSNTXXYIDR-UHFFFAOYSA-N
XLogP3.69
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol?
The IUPAC name of 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol (CID 122186118) is 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol.
What is the SMILES notation for 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol?
The canonical SMILES for 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol is Cc1ccc(-c2nc(N)ncc2-c2cc(F)c(O)c(F)c2)cc1.
What is the InChIKey of 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol?
The InChIKey is HPQKQSNTXXYIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-9-2-4-10(5-3-9)15-12(8-21-17(20)22-15)11-6-13(18)16(23)14(19)7-11/h2-8,23H,1H3,(H2,20,21,22).
What are the key properties of 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol?
4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol has a molecular weight of 313.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(4-methylphenyl)pyrimidin-5-yl]-2,6-difluorophenol is sourced from PubChem (CID 122186118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).