(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide

C110H108ClFN20O6S2 — CID 160746628

IUPAC(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide
SMILESCN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cccnc3)s2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(C#N)cs2)N=C1N.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)CN1Cc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C29H25FN4O.C26H25ClN4O2.C20H20N4OS.C18H20N4OS.C17H18N4O/c30-25-15-8-10-22(18-25)27(35)32-26-16-7-9-21(17-26)19-34-20-29(33-28(34)31,23-11-3-1-4-12-23)24-13-5-2-6-14-24;27-22-15-9-10-19(18-22)23(32)29-16-7-8-17-31-24(33)26(30-25(31)28,20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-20(16-9-12(10-21)11-26-16)17(18(25)24(2)19(22)23-20)15-7-5-14(6-8-15)13-3-4-13;1-18(14-8-7-13(24-14)12-4-3-9-20-10-12)15(11-5-6-11)16(23)22(2)17(19)21-18;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-18H,19-20H2,(H2,31,33)(H,32,35);1-6,9-15,18H,7-8,16-17H2,(H2,28,30)(H,29,32);5-9,11,13,17H,3-4H2,1-2H3,(H2,22,23);3-4,7-11,15H,5-6H2,1-2H3,(H2,19,21);4-10H,1-3H3,(H2,18,20)/t;;17-,20+;15-,18+;/m..00./s1
InChIKeyRWGQVHCCQKSWRV-MMWQCVAZSA-N
MW1924.79 g/mol
LogP17.28
Rot. Bonds22

About (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide

(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide (PubChem CID 160746628) has the molecular formula C110H108ClFN20O6S2 and a molecular weight of 1924.79 g/mol. Its IUPAC name is (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide.

Molecular Properties

Compound Name(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide
PubChem CID160746628
Molecular FormulaC110H108ClFN20O6S2
Molecular Weight1924.79 g/mol
Exact Mass1922.79
IUPAC Name(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide
SMILESCN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cccnc3)s2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(C#N)cs2)N=C1N.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)CN1Cc1cccc(NC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C29H25FN4O.C26H25ClN4O2.C20H20N4OS.C18H20N4OS.C17H18N4O/c30-25-15-8-10-22(18-25)27(35)32-26-16-7-9-21(17-26)19-34-20-29(33-28(34)31,23-11-3-1-4-12-23)24-13-5-2-6-14-24;27-22-15-9-10-19(18-22)23(32)29-16-7-8-17-31-24(33)26(30-25(31)28,20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-20(16-9-12(10-21)11-26-16)17(18(25)24(2)19(22)23-20)15-7-5-14(6-8-15)13-3-4-13;1-18(14-8-7-13(24-14)12-4-3-9-20-10-12)15(11-5-6-11)16(23)22(2)17(19)21-18;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-18H,19-20H2,(H2,31,33)(H,32,35);1-6,9-15,18H,7-8,16-17H2,(H2,28,30)(H,29,32);5-9,11,13,17H,3-4H2,1-2H3,(H2,22,23);3-4,7-11,15H,5-6H2,1-2H3,(H2,19,21);4-10H,1-3H3,(H2,18,20)/t;;17-,20+;15-,18+;/m..00./s1
InChIKeyRWGQVHCCQKSWRV-MMWQCVAZSA-N
XLogP17.28
TPSA384.15 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001924.79
LogP ≤ 517.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide?
The IUPAC name of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide (CID 160746628) is (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide.
What is the SMILES notation for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide?
The canonical SMILES for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide is CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cccnc3)s2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(C#N)cs2)N=C1N.Cc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)c1cccc(Cl)c1.NC1=NC(c2ccccc2)(c2ccccc2)CN1Cc1cccc(NC(=O)c2cccc(F)c2)c1.
What is the InChIKey of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide?
The InChIKey is RWGQVHCCQKSWRV-MMWQCVAZSA-N. The full InChI is InChI=1S/C29H25FN4O.C26H25ClN4O2.C20H20N4OS.C18H20N4OS.C17H18N4O/c30-25-15-8-10-22(18-25)27(35)32-26-16-7-9-21(17-26)19-34-20-29(33-28(34)31,23-11-3-1-4-12-23)24-13-5-2-6-14-24;27-22-15-9-10-19(18-22)23(32)29-16-7-8-17-31-24(33)26(30-25(31)28,20-11-3-1-4-12-20)21-13-5-2-6-14-21;1-20(16-9-12(10-21)11-26-16)17(18(25)24(2)19(22)23-20)15-7-5-14(6-8-15)13-3-4-13;1-18(14-8-7-13(24-14)12-4-3-9-20-10-12)15(11-5-6-11)16(23)22(2)17(19)21-18;1-11-7-13(10-19-9-11)12-5-4-6-14(8-12)17(2)15(22)21(3)16(18)20-17/h1-18H,19-20H2,(H2,31,33)(H,32,35);1-6,9-15,18H,7-8,16-17H2,(H2,28,30)(H,29,32);5-9,11,13,17H,3-4H2,1-2H3,(H2,22,23);3-4,7-11,15H,5-6H2,1-2H3,(H2,19,21);4-10H,1-3H3,(H2,18,20)/t;;17-,20+;15-,18+;/m..00./s1.
What are the key properties of (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide?
(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide has a molecular weight of 1924.79 g/mol, XLogP of 17.28, 22 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;5-[(4S,5R)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-3-carbonitrile;2-amino-3,5-dimethyl-5-[3-(5-methyl-3-pyridinyl)phenyl]imidazol-4-one;N-[3-[(2-amino-5,5-diphenyl-4H-imidazol-3-yl)methyl]phenyl]-3-fluorobenzamide;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-chlorobenzamide is sourced from PubChem (CID 160746628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).