(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C19H24F3N3O — CID 58082762

IUPAC(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC3CC3(F)F)ccc2F)N=C1N
InChIInChI=1S/C19H24F3N3O/c1-17(2)15(26)25(4)16(23)24-18(17,3)13-9-11(6-8-14(13)20)5-7-12-10-19(12,21)22/h6,8-9,12H,5,7,10H2,1-4H3,(H2,23,24)/t12?,18-/m1/s1
InChIKeyRGDTYJKEFLXEAA-VMHBGOFLSA-N
MW367.42 g/mol
LogP3.44
Rot. Bonds4

About (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one

(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 58082762) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID58082762
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC3CC3(F)F)ccc2F)N=C1N
InChIInChI=1S/C19H24F3N3O/c1-17(2)15(26)25(4)16(23)24-18(17,3)13-9-11(6-8-14(13)20)5-7-12-10-19(12,21)22/h6,8-9,12H,5,7,10H2,1-4H3,(H2,23,24)/t12?,18-/m1/s1
InChIKeyRGDTYJKEFLXEAA-VMHBGOFLSA-N
XLogP3.44
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one 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 (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 58082762) is (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(CCC3CC3(F)F)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is RGDTYJKEFLXEAA-VMHBGOFLSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-17(2)15(26)25(4)16(23)24-18(17,3)13-9-11(6-8-14(13)20)5-7-12-10-19(12,21)22/h6,8-9,12H,5,7,10H2,1-4H3,(H2,23,24)/t12?,18-/m1/s1.
What are the key properties of (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 367.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58082762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).