(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide

C111H119F3N20O9S3 — CID 159744071

IUPAC(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1.CN1C(=O)C[C@@](C)(c2cnc(-c3cccc(F)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CS(=O)(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/2C26H25FN4O.C24H30N4O3S.C20H24N4O3S.C15H15FN4OS/c2*1-26(21-5-3-4-19(12-21)20-13-22(27)15-29-14-20)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-2-17-32(30,31)27-15-13-19(14-16-27)18-28-22(29)24(26-23(28)25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-28(26,27)22-14-8-9-15-24-18(25)20(23-19(24)21,16-10-4-2-5-11-16)17-12-6-3-7-13-17;1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-4-3-5-10(16)6-9/h2*3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);3-12,19H,2,13-18H2,1H3,(H2,25,26);2-7,10-13,22H,8-9,14-15H2,1H3,(H2,21,23);3-6,8H,7H2,1-2H3,(H2,17,19)/t23-,26+;23-,26-;;;15-/m01..0/s1
InChIKeyNCVAZKYKQMAEMM-VHKHGXCMSA-N
MW2030.50 g/mol
LogP15.40
Rot. Bonds25

About (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide

(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide (PubChem CID 159744071) has the molecular formula C111H119F3N20O9S3 and a molecular weight of 2030.50 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide.

Molecular Properties

Compound Name(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide
PubChem CID159744071
Molecular FormulaC111H119F3N20O9S3
Molecular Weight2030.50 g/mol
Exact Mass2028.86
IUPAC Name(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide
SMILESCCCS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1.CN1C(=O)C[C@@](C)(c2cnc(-c3cccc(F)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CS(=O)(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
InChIInChI=1S/2C26H25FN4O.C24H30N4O3S.C20H24N4O3S.C15H15FN4OS/c2*1-26(21-5-3-4-19(12-21)20-13-22(27)15-29-14-20)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-2-17-32(30,31)27-15-13-19(14-16-27)18-28-22(29)24(26-23(28)25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-28(26,27)22-14-8-9-15-24-18(25)20(23-19(24)21,16-10-4-2-5-11-16)17-12-6-3-7-13-17;1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-4-3-5-10(16)6-9/h2*3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);3-12,19H,2,13-18H2,1H3,(H2,25,26);2-7,10-13,22H,8-9,14-15H2,1H3,(H2,21,23);3-6,8H,7H2,1-2H3,(H2,17,19)/t23-,26+;23-,26-;;;15-/m01..0/s1
InChIKeyNCVAZKYKQMAEMM-VHKHGXCMSA-N
XLogP15.40
TPSA415.67 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002030.50
LogP ≤ 515.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 159860857
(5S,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 160005464

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide?
The IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide (CID 159744071) is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide.
What is the SMILES notation for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide?
The canonical SMILES for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide is CCCS(=O)(=O)N1CCC(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)CC1.CN1C(=O)C[C@@](C)(c2cnc(-c3cccc(F)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cccc(-c3cncc(F)c3)c2)N=C1N.CS(=O)(=O)NCCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.
What is the InChIKey of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide?
The InChIKey is NCVAZKYKQMAEMM-VHKHGXCMSA-N. The full InChI is InChI=1S/2C26H25FN4O.C24H30N4O3S.C20H24N4O3S.C15H15FN4OS/c2*1-26(21-5-3-4-19(12-21)20-13-22(27)15-29-14-20)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-2-17-32(30,31)27-15-13-19(14-16-27)18-28-22(29)24(26-23(28)25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;1-28(26,27)22-14-8-9-15-24-18(25)20(23-19(24)21,16-10-4-2-5-11-16)17-12-6-3-7-13-17;1-15(7-12(21)20(2)14(17)19-15)11-8-18-13(22-11)9-4-3-5-10(16)6-9/h2*3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);3-12,19H,2,13-18H2,1H3,(H2,25,26);2-7,10-13,22H,8-9,14-15H2,1H3,(H2,21,23);3-6,8H,7H2,1-2H3,(H2,17,19)/t23-,26+;23-,26-;;;15-/m01..0/s1.
What are the key properties of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide?
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide has a molecular weight of 2030.50 g/mol, XLogP of 15.40, 25 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[3-(5-fluoro-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[(1-propylsulfonylpiperidin-4-yl)methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]methanesulfonamide is sourced from PubChem (CID 159744071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).