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

C19H25FN6O — CID 76543670

IUPAC2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)C(C)(c2cc(NCc3ccn(C)n3)ccc2F)N=C1N
InChIInChI=1S/C19H25FN6O/c1-18(2)16(27)26(5)17(21)23-19(18,3)14-10-12(6-7-15(14)20)22-11-13-8-9-25(4)24-13/h6-10,22H,11H2,1-5H3,(H2,21,23)
InChIKeyURECNYVGAIVQCN-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.20
Rot. Bonds4

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

2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 76543670) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID76543670
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C(=O)C(C)(C)C(C)(c2cc(NCc3ccn(C)n3)ccc2F)N=C1N
InChIInChI=1S/C19H25FN6O/c1-18(2)16(27)26(5)17(21)23-19(18,3)14-10-12(6-7-15(14)20)22-11-13-8-9-25(4)24-13/h6-10,22H,11H2,1-5H3,(H2,21,23)
InChIKeyURECNYVGAIVQCN-UHFFFAOYSA-N
XLogP2.20
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]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

(6S)-2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082882
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
(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-[(6-methyl-3-pyridinyl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497028
2-amino-6-[2-fluoro-5-(oxetan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727533
4-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]-2-methylbenzonitrile
CID 66727840
4-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluoroanilino]-2,5-difluorobenzonitrile
CID 66727633
(6S)-2-amino-6-[5-[1-(2,2-difluorocyclopropyl)ethylamino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66747626
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
CID 66727509
2-amino-6-[5-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727648
(6S)-2-amino-6-[2-fluoro-5-[2-(1,2-oxazol-3-yl)ethyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082829

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one (CID 76543670) is 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is CN1C(=O)C(C)(C)C(C)(c2cc(NCc3ccn(C)n3)ccc2F)N=C1N.
What is the InChIKey of 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is URECNYVGAIVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-18(2)16(27)26(5)17(21)23-19(18,3)14-10-12(6-7-15(14)20)22-11-13-8-9-25(4)24-13/h6-10,22H,11H2,1-5H3,(H2,21,23).
What are the key properties of 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one?
2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 372.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 76543670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).