N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine

C19H16F4N4O2S — CID 71515735

IUPACN-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
SMILES[H]N=S(C)(=O)Cc1cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)cc(F)c1F
InChIInChI=1S/C19H16F4N4O2S/c1-29-16-6-11(20)3-4-13(16)18-15(22)8-25-19(27-18)26-12-5-10(9-30(2,24)28)17(23)14(21)7-12/h3-8,24H,9H2,1-2H3,(H,25,26,27)
InChIKeyPXFUPQJFMDTOBX-UHFFFAOYSA-N
MW440.42 g/mol
LogP4.63
Rot. Bonds6

About N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine

N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine (PubChem CID 71515735) has the molecular formula C19H16F4N4O2S and a molecular weight of 440.42 g/mol. Its IUPAC name is N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
PubChem CID71515735
Molecular FormulaC19H16F4N4O2S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC NameN-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine
SMILES[H]N=S(C)(=O)Cc1cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)cc(F)c1F
InChIInChI=1S/C19H16F4N4O2S/c1-29-16-6-11(20)3-4-13(16)18-15(22)8-25-19(27-18)26-12-5-10(9-30(2,24)28)17(23)14(21)7-12/h3-8,24H,9H2,1-2H3,(H,25,26,27)
InChIKeyPXFUPQJFMDTOBX-UHFFFAOYSA-N
XLogP4.63
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine (CID 71515735) is N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine is [H]N=S(C)(=O)Cc1cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)cc(F)c1F.
What is the InChIKey of N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is PXFUPQJFMDTOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S/c1-29-16-6-11(20)3-4-13(16)18-15(22)8-25-19(27-18)26-12-5-10(9-30(2,24)28)17(23)14(21)7-12/h3-8,24H,9H2,1-2H3,(H,25,26,27).
What are the key properties of N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine?
N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 440.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-difluoro-5-[(methylsulfonimidoyl)methyl]phenyl]-5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 71515735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).