2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol

C18H15F2N3O — CID 122186119

IUPAC2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
SMILESCNc1ncc(-c2cc(F)c(O)c(F)c2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23)
InChIKeySZXVKXAUZJIMFQ-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.14
Rot. Bonds3

About 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol

2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol (PubChem CID 122186119) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
PubChem CID122186119
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol
SMILESCNc1ncc(-c2cc(F)c(O)c(F)c2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23)
InChIKeySZXVKXAUZJIMFQ-UHFFFAOYSA-N
XLogP4.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?
The IUPAC name of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol (CID 122186119) is 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?
The canonical SMILES for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol is CNc1ncc(-c2cc(F)c(O)c(F)c2)c(-c2ccc(C)cc2)n1.
What is the InChIKey of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?
The InChIKey is SZXVKXAUZJIMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-3-5-11(6-4-10)16-13(9-22-18(21-2)23-16)12-7-14(19)17(24)15(20)8-12/h3-9,24H,1-2H3,(H,21,22,23).
What are the key properties of 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol?
2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol has a molecular weight of 327.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-(methylamino)-4-(4-methylphenyl)pyrimidin-5-yl]phenol is sourced from PubChem (CID 122186119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).