(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide

C111H114BrN19O8 — CID 158002569

IUPAC(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide
SMILESCCCCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.CN1C(=O)C[C@@](C)(c2ccc3c(Br)[nH]nc3c2)N=C1N.CN1C(=O)C[C@]2(CCCc3ccc(-c4cccnc4)cc32)N=C1N.COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C30H32N4O2.C26H27N3O2.C23H21N3O2.C19H20N4O.C13H14BrN5O/c31-29-33-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(36)34(29)21-23-13-10-14-24(19-23)27(35)32-20-22-11-4-1-5-12-22;1-2-3-18-31-23-16-14-20(15-17-23)19-29-24(30)26(28-25(29)27,21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2;1-23-17(24)11-19(22-18(23)20)8-2-4-13-6-7-14(10-16(13)19)15-5-3-9-21-12-15;1-13(6-10(20)19(2)12(15)16-13)7-3-4-8-9(5-7)17-18-11(8)14/h2-3,6-10,13-19,22H,1,4-5,11-12,20-21H2,(H2,31,33)(H,32,35);4-17H,2-3,18-19H2,1H3,(H2,27,28);3-15H,1-2H3,(H2,24,25);3,5-7,9-10,12H,2,4,8,11H2,1H3,(H2,20,22);3-5H,6H2,1-2H3,(H2,15,16)(H,17,18)/t;;;19-;13-/m...00/s1
InChIKeyFDXGCXXVGZQEKB-QUBOODSESA-N
MW1922.16 g/mol
LogP16.63
Rot. Bonds21

About (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide

(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide (PubChem CID 158002569) has the molecular formula C111H114BrN19O8 and a molecular weight of 1922.16 g/mol. Its IUPAC name is (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide
PubChem CID158002569
Molecular FormulaC111H114BrN19O8
Molecular Weight1922.16 g/mol
Exact Mass1919.83
IUPAC Name(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide
SMILESCCCCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.CN1C(=O)C[C@@](C)(c2ccc3c(Br)[nH]nc3c2)N=C1N.CN1C(=O)C[C@]2(CCCc3ccc(-c4cccnc4)cc32)N=C1N.COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCCC2)c1
InChIInChI=1S/C30H32N4O2.C26H27N3O2.C23H21N3O2.C19H20N4O.C13H14BrN5O/c31-29-33-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(36)34(29)21-23-13-10-14-24(19-23)27(35)32-20-22-11-4-1-5-12-22;1-2-3-18-31-23-16-14-20(15-17-23)19-29-24(30)26(28-25(29)27,21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2;1-23-17(24)11-19(22-18(23)20)8-2-4-13-6-7-14(10-16(13)19)15-5-3-9-21-12-15;1-13(6-10(20)19(2)12(15)16-13)7-3-4-8-9(5-7)17-18-11(8)14/h2-3,6-10,13-19,22H,1,4-5,11-12,20-21H2,(H2,31,33)(H,32,35);4-17H,2-3,18-19H2,1H3,(H2,27,28);3-15H,1-2H3,(H2,24,25);3,5-7,9-10,12H,2,4,8,11H2,1H3,(H2,20,22);3-5H,6H2,1-2H3,(H2,15,16)(H,17,18)/t;;;19-;13-/m...00/s1
InChIKeyFDXGCXXVGZQEKB-QUBOODSESA-N
XLogP16.63
TPSA382.58 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001922.16
LogP ≤ 516.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide?
The IUPAC name of (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide (CID 158002569) is (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide is CCCCOc1ccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)cc1.CN1C(=O)C[C@@](C)(c2ccc3c(Br)[nH]nc3c2)N=C1N.CN1C(=O)C[C@]2(CCCc3ccc(-c4cccnc4)cc32)N=C1N.COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(C(=O)NCC2CCCCC2)c1.
What is the InChIKey of (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide?
The InChIKey is FDXGCXXVGZQEKB-QUBOODSESA-N. The full InChI is InChI=1S/C30H32N4O2.C26H27N3O2.C23H21N3O2.C19H20N4O.C13H14BrN5O/c31-29-33-30(25-15-6-2-7-16-25,26-17-8-3-9-18-26)28(36)34(29)21-23-13-10-14-24(19-23)27(35)32-20-22-11-4-1-5-12-22;1-2-3-18-31-23-16-14-20(15-17-23)19-29-24(30)26(28-25(29)27,21-10-6-4-7-11-21)22-12-8-5-9-13-22;1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2;1-23-17(24)11-19(22-18(23)20)8-2-4-13-6-7-14(10-16(13)19)15-5-3-9-21-12-15;1-13(6-10(20)19(2)12(15)16-13)7-3-4-8-9(5-7)17-18-11(8)14/h2-3,6-10,13-19,22H,1,4-5,11-12,20-21H2,(H2,31,33)(H,32,35);4-17H,2-3,18-19H2,1H3,(H2,27,28);3-15H,1-2H3,(H2,24,25);3,5-7,9-10,12H,2,4,8,11H2,1H3,(H2,20,22);3-5H,6H2,1-2H3,(H2,15,16)(H,17,18)/t;;;19-;13-/m...00/s1.
What are the key properties of (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide?
(6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide has a molecular weight of 1922.16 g/mol, XLogP of 16.63, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-(3-bromo-2H-indazol-6-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-3-[(4-butoxyphenyl)methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(4S)-2'-amino-3'-methyl-6-pyridin-3-ylspiro[2,3-dihydro-1H-naphthalene-4,6'-5H-pyrimidine]-4'-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 158002569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).