(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide

C93H97Br2FN22O8S2 — CID 160795691

IUPAC(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(Br)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)C[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)ccn2)N=C1N.COc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)n(C)n1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C28H23FN4O3S.C27H25N5O.C17H20BrN5O.C11H17N5O2.C10H12BrN3OS/c29-23-14-16-25(17-15-23)37(35,36)32-24-13-7-8-20(18-24)19-33-26(34)28(31-27(33)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27(23-15-22(12-13-30-23)21-5-3-4-17(14-21)16-28)24(25(33)32(2)26(29)31-27)20-10-8-19(9-11-20)18-6-7-18;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-11(6-9(17)15(2)10(12)13-11)7-5-8(18-4)14-16(7)3;1-10(8-6(11)3-4-16-8)5-7(15)14(2)9(12)13-10/h1-18,32H,19H2,(H2,30,31);3-5,8-15,18,24H,6-7H2,1-2H3,(H2,29,31);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);5H,6H2,1-4H3,(H2,12,13);3-4H,5H2,1-2H3,(H2,12,13)/t;24-,27-;17-;11-;10-/m.1000/s1
InChIKeySCKJDNZPDDGLOR-BAXOHVLCSA-N
MW1893.88 g/mol
LogP12.83
Rot. Bonds17

About (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide

(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 160795691) has the molecular formula C93H97Br2FN22O8S2 and a molecular weight of 1893.88 g/mol. Its IUPAC name is (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID160795691
Molecular FormulaC93H97Br2FN22O8S2
Molecular Weight1893.88 g/mol
Exact Mass1890.57
IUPAC Name(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
SMILESCN1C(=O)C[C@@](C)(c2ccc3c(Br)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)C[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)ccn2)N=C1N.COc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)n(C)n1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C28H23FN4O3S.C27H25N5O.C17H20BrN5O.C11H17N5O2.C10H12BrN3OS/c29-23-14-16-25(17-15-23)37(35,36)32-24-13-7-8-20(18-24)19-33-26(34)28(31-27(33)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27(23-15-22(12-13-30-23)21-5-3-4-17(14-21)16-28)24(25(33)32(2)26(29)31-27)20-10-8-19(9-11-20)18-6-7-18;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-11(6-9(17)15(2)10(12)13-11)7-5-8(18-4)14-16(7)3;1-10(8-6(11)3-4-16-8)5-7(15)14(2)9(12)13-10/h1-18,32H,19H2,(H2,30,31);3-5,8-15,18,24H,6-7H2,1-2H3,(H2,29,31);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);5H,6H2,1-4H3,(H2,12,13);3-4H,5H2,1-2H3,(H2,12,13)/t;24-,27-;17-;11-;10-/m.1000/s1
InChIKeySCKJDNZPDDGLOR-BAXOHVLCSA-N
XLogP12.83
TPSA421.17 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.88
LogP ≤ 512.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

(6S)-2-amino-6-(3-bromo-5-fluorothiophen-2-yl)-5-fluoro-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-(3-bromophenyl)-3-methyl-5-propan-2-ylimidazol-4-one;(6S)-2-amino-6-[1-(methoxymethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-(3-methoxyphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(3-methoxyphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;N-[(1R,3S)-3-[[(4R)-2-amino-1-methyl-5-oxo-4-(2-phenylethyl)imidazol-4-yl]methyl]cyclohexyl]pyridine-4-carboxamide
CID 157370575
(6S)-2-amino-6-[4-(5-bromo-3-pyridinyl)thiophen-2-yl]-5-(6-methoxy-3-pyridinyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-(1-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(2-methylphenyl)piperidine-1-carboxamide;5-[5-[(4S,5S)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile;5-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzene-1,3-dicarbonitrile
CID 157875399
(5R,6S)-2-amino-6-[4-(5-bromo-3-pyridinyl)thiophen-2-yl]-5-(2,3-dihydro-1-benzofuran-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-5-(4-cyclobutylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;1-[4-[(4S)-2-amino-4-[3-(5-fluoro-3-pyridinyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]phenyl]cyclopropane-1-carbonitrile;(6S)-2-amino-6-(1H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 160857992

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide (CID 160795691) is (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide is CN1C(=O)C[C@@](C)(c2ccc3c(Br)n(CC4CC4)nc3c2)N=C1N.CN1C(=O)C[C@@](C)(c2sccc2Br)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)ccn2)N=C1N.COc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)n(C)n1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is SCKJDNZPDDGLOR-BAXOHVLCSA-N. The full InChI is InChI=1S/C28H23FN4O3S.C27H25N5O.C17H20BrN5O.C11H17N5O2.C10H12BrN3OS/c29-23-14-16-25(17-15-23)37(35,36)32-24-13-7-8-20(18-24)19-33-26(34)28(31-27(33)30,21-9-3-1-4-10-21)22-11-5-2-6-12-22;1-27(23-15-22(12-13-30-23)21-5-3-4-17(14-21)16-28)24(25(33)32(2)26(29)31-27)20-10-8-19(9-11-20)18-6-7-18;1-17(8-14(24)22(2)16(19)20-17)11-5-6-12-13(7-11)21-23(15(12)18)9-10-3-4-10;1-11(6-9(17)15(2)10(12)13-11)7-5-8(18-4)14-16(7)3;1-10(8-6(11)3-4-16-8)5-7(15)14(2)9(12)13-10/h1-18,32H,19H2,(H2,30,31);3-5,8-15,18,24H,6-7H2,1-2H3,(H2,29,31);5-7,10H,3-4,8-9H2,1-2H3,(H2,19,20);5H,6H2,1-4H3,(H2,12,13);3-4H,5H2,1-2H3,(H2,12,13)/t;24-,27-;17-;11-;10-/m.1000/s1.
What are the key properties of (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide?
(6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 1893.88 g/mol, XLogP of 12.83, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[3-bromo-2-(cyclopropylmethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(3-bromothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[2-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-methoxy-1-methylpyrazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 160795691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).