(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one

C114H106Cl2F5N19O7S2 — CID 161230950

IUPAC(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3ccccc3Cl)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc(-c3ccsc3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C26H25FN4O.C25H23Cl2N5O2.C23H18F3N3O2.C14H15N3OS2/c2*1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16;1-25(22(33)32(2)23(28)31-25)17-7-5-6-15(12-17)19-13-18(26)11-10-16(19)14-29-24(34)30-21-9-4-3-8-20(21)27;24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-14(7-12(18)17(2)13(15)16-14)11-4-3-10(20-11)9-5-6-19-8-9/h2*3-6,9-16,23H,7-8H2,1-2H3,(H2,28,30);3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34);1-14H,15H2,(H2,27,28);3-6,8H,7H2,1-2H3,(H2,15,16)/t23-,26+;23-,26-;;;14-/m01..0/s1
InChIKeyUYSWLMHMPIEJOD-UUFJBLTBSA-N
MW2084.26 g/mol
LogP21.14
Rot. Bonds20

About (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one

(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one (PubChem CID 161230950) has the molecular formula C114H106Cl2F5N19O7S2 and a molecular weight of 2084.26 g/mol. Its IUPAC name is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
PubChem CID161230950
Molecular FormulaC114H106Cl2F5N19O7S2
Molecular Weight2084.26 g/mol
Exact Mass2081.73
IUPAC Name(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3ccccc3Cl)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc(-c3ccsc3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C26H25FN4O.C25H23Cl2N5O2.C23H18F3N3O2.C14H15N3OS2/c2*1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16;1-25(22(33)32(2)23(28)31-25)17-7-5-6-15(12-17)19-13-18(26)11-10-16(19)14-29-24(34)30-21-9-4-3-8-20(21)27;24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-14(7-12(18)17(2)13(15)16-14)11-4-3-10(20-11)9-5-6-19-8-9/h2*3-6,9-16,23H,7-8H2,1-2H3,(H2,28,30);3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34);1-14H,15H2,(H2,27,28);3-6,8H,7H2,1-2H3,(H2,15,16)/t23-,26+;23-,26-;;;14-/m01..0/s1
InChIKeyUYSWLMHMPIEJOD-UUFJBLTBSA-N
XLogP21.14
TPSA369.59 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.26
LogP ≤ 521.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The IUPAC name of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one (CID 161230950) is (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one.
What is the SMILES notation for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The canonical SMILES for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one is CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)Nc3ccccc3Cl)c2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc(-c3ccsc3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccnc(-c3ccccc3F)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The InChIKey is UYSWLMHMPIEJOD-UUFJBLTBSA-N. The full InChI is InChI=1S/2C26H25FN4O.C25H23Cl2N5O2.C23H18F3N3O2.C14H15N3OS2/c2*1-26(19-13-14-29-22(15-19)20-5-3-4-6-21(20)27)23(24(32)31(2)25(28)30-26)18-11-9-17(10-12-18)16-7-8-16;1-25(22(33)32(2)23(28)31-25)17-7-5-6-15(12-17)19-13-18(26)11-10-16(19)14-29-24(34)30-21-9-4-3-8-20(21)27;24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18;1-14(7-12(18)17(2)13(15)16-14)11-4-3-10(20-11)9-5-6-19-8-9/h2*3-6,9-16,23H,7-8H2,1-2H3,(H2,28,30);3-13H,14H2,1-2H3,(H2,28,31)(H2,29,30,34);1-14H,15H2,(H2,27,28);3-6,8H,7H2,1-2H3,(H2,15,16)/t23-,26+;23-,26-;;;14-/m01..0/s1.
What are the key properties of (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one has a molecular weight of 2084.26 g/mol, XLogP of 21.14, 20 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-6-[2-(2-fluorophenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea;(6S)-2-amino-3,6-dimethyl-6-(5-thiophen-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 161230950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).