N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide

C20H27FN4O2 — CID 66727509

IUPACN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)CC3CCC3)ccc2F)N=C1N
InChIInChI=1S/C20H27FN4O2/c1-19(2)17(27)25(4)18(22)24-20(19,3)14-11-13(8-9-15(14)21)23-16(26)10-12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H2,22,24)(H,23,26)/t20-/m1/s1
InChIKeyRZTMUTGSVJCYNJ-HXUWFJFHSA-N
MW374.46 g/mol
LogP2.98
Rot. Bonds4

About N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide

N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide (PubChem CID 66727509) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
PubChem CID66727509
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide
SMILESCN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)CC3CCC3)ccc2F)N=C1N
InChIInChI=1S/C20H27FN4O2/c1-19(2)17(27)25(4)18(22)24-20(19,3)14-11-13(8-9-15(14)21)23-16(26)10-12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H2,22,24)(H,23,26)/t20-/m1/s1
InChIKeyRZTMUTGSVJCYNJ-HXUWFJFHSA-N
XLogP2.98
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-1-hydroxycyclobutane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 66727807
2-amino-6-[2-fluoro-5-(oxetan-3-ylamino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66727533
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59570580
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-[5-[1-(2,2-difluorocyclopropyl)ethylamino]-2-fluorophenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 66747626
(6S)-2-amino-6-[2-fluoro-5-(3-fluoroanilino)phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497057
(6S)-2-amino-6-[2-fluoro-5-[[(1R,2R)-2-phenylcyclopropyl]methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497076
(6S)-2-amino-6-[2-fluoro-5-[(2-methylpyrazol-3-yl)amino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 57497053
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
2-amino-6-[2-fluoro-5-[(1-methylpyrazol-3-yl)methylamino]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 76543670
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-isocyanocyclopentyl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one
CID 58082819

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide?
The IUPAC name of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide (CID 66727509) is N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide is CN1C(=O)C(C)(C)[C@@](C)(c2cc(NC(=O)CC3CCC3)ccc2F)N=C1N.
What is the InChIKey of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide?
The InChIKey is RZTMUTGSVJCYNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-19(2)17(27)25(4)18(22)24-20(19,3)14-11-13(8-9-15(14)21)23-16(26)10-12-6-5-7-12/h8-9,11-12H,5-7,10H2,1-4H3,(H2,22,24)(H,23,26)/t20-/m1/s1.
What are the key properties of N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide?
N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]-4-fluorophenyl]-2-cyclobutylacetamide is sourced from PubChem (CID 66727509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).