(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

C19H24FN5O — CID 58082882

IUPAC(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(Cc3ccn(C)n3)ccc2F)N=C1N
InChIInChI=1S/C19H24FN5O/c1-18(2)16(26)25(5)17(21)22-19(18,3)14-11-12(6-7-15(14)20)10-13-8-9-24(4)23-13/h6-9,11H,10H2,1-5H3,(H2,21,22)/t19-/m1/s1
InChIKeyGTQXXMMZSIXXTF-LJQANCHMSA-N
MW357.43 g/mol
LogP2.18
Rot. Bonds3

About (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 58082882) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID58082882
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(Cc3ccn(C)n3)ccc2F)N=C1N
InChIInChI=1S/C19H24FN5O/c1-18(2)16(26)25(5)17(21)22-19(18,3)14-11-12(6-7-15(14)20)10-13-8-9-24(4)23-13/h6-9,11H,10H2,1-5H3,(H2,21,22)/t19-/m1/s1
InChIKeyGTQXXMMZSIXXTF-LJQANCHMSA-N
XLogP2.18
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-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

Related Compounds

2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 76543670
(6S)-2-amino-6-[5-(3,3-dimethylbutyl)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082780
(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082829
(6S)-2-amino-6-[5-[2-(2,2-difluorocyclopropyl)ethyl]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082762
(6S)-2-amino-6-[2-fluoro-5-[(2-methyloxolan-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082758
methyl 4-[[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methyl]-3-methoxybenzoate
CID 58082861
(6S)-2-amino-6-[2-fluoro-5-[(2-isocyanocyclopentyl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082819
[5-[[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]methyl]-2-bicyclo[2.2.1]heptanyl] acetate
CID 157298672
(6S)-2-amino-6-[5-(2,4-difluoroanilino)-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497039
(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497053
2-amino-6-[2-fluoro-5-[(2-methyl-1,3-oxazol-4-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727386
(6S)-2-amino-6-[2-fluoro-5-[2-(5-methyl-1H-pyrazol-3-yl)ethylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66746300

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 58082882) is (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)[C@@](C)(c2cc(Cc3ccn(C)n3)ccc2F)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is GTQXXMMZSIXXTF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-18(2)16(26)25(5)17(21)22-19(18,3)14-11-12(6-7-15(14)20)10-13-8-9-24(4)23-13/h6-9,11H,10H2,1-5H3,(H2,21,22)/t19-/m1/s1.
What are the key properties of (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 357.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 58082882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).