4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine

C23H19F3N6O — CID 153393199

IUPAC4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine
SMILESCc1cc(-c2c(OCc3cccc(N)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C23H19F3N6O/c1-12-9-14(10-17(29-12)21(25)26)19-20(13-5-7-15(24)8-6-13)31-23(28)32-22(19)33-11-16-3-2-4-18(27)30-16/h2-10,21H,11H2,1H3,(H2,27,30)(H2,28,31,32)
InChIKeyFBIMEXTYWYWBOG-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.73
Rot. Bonds6

About 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine

4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine (PubChem CID 153393199) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine
PubChem CID153393199
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Name4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine
SMILESCc1cc(-c2c(OCc3cccc(N)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1
InChIInChI=1S/C23H19F3N6O/c1-12-9-14(10-17(29-12)21(25)26)19-20(13-5-7-15(24)8-6-13)31-23(28)32-22(19)33-11-16-3-2-4-18(27)30-16/h2-10,21H,11H2,1H3,(H2,27,30)(H2,28,31,32)
InChIKeyFBIMEXTYWYWBOG-UHFFFAOYSA-N
XLogP4.73
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine?
The IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine (CID 153393199) is 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine is Cc1cc(-c2c(OCc3cccc(N)n3)nc(N)nc2-c2ccc(F)cc2)cc(C(F)F)n1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine?
The InChIKey is FBIMEXTYWYWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-12-9-14(10-17(29-12)21(25)26)19-20(13-5-7-15(24)8-6-13)31-23(28)32-22(19)33-11-16-3-2-4-18(27)30-16/h2-10,21H,11H2,1H3,(H2,27,30)(H2,28,31,32).
What are the key properties of 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine?
4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine has a molecular weight of 452.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)methoxy]-5-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-6-(4-fluorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 153393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).