(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one

C111H121ClN20O5S3 — CID 161383632

IUPAC(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)ncn3)cs2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)C1.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)C1.Cc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1
InChIInChI=1S/C27H23N3OS.2C26H32N4O.C18H20N4OS.C14H14ClN5OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23;2*1-17-13-14-30(16-17)22-6-4-5-21(15-22)26(2)23(24(31)29(3)25(27)28-26)20-11-9-19(10-12-20)18-7-8-18;1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18;1-14(5-12(21)20(2)13(16)19-14)10-3-8(6-22-10)9-4-11(15)18-7-17-9/h2-16,18H,17H2,1H3,(H2,28,29);2*4-6,9-12,15,17-18,23H,7-8,13-14,16H2,1-3H3,(H2,27,28);5-10,12,15H,3-4H2,1-2H3,(H2,19,21);3-4,6-7H,5H2,1-2H3,(H2,16,19)/t;17-,23+,26+;17-,23-,26+;15-,18-;14-/m.0010/s1
InChIKeyVSAWLNICSMGEMJ-URMXNUKYSA-N
MW1946.98 g/mol
LogP18.80
Rot. Bonds18

About (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one

(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 161383632) has the molecular formula C111H121ClN20O5S3 and a molecular weight of 1946.98 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID161383632
Molecular FormulaC111H121ClN20O5S3
Molecular Weight1946.98 g/mol
Exact Mass1944.87
IUPAC Name(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)ncn3)cs2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)C1.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)C1.Cc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1
InChIInChI=1S/C27H23N3OS.2C26H32N4O.C18H20N4OS.C14H14ClN5OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23;2*1-17-13-14-30(16-17)22-6-4-5-21(15-22)26(2)23(24(31)29(3)25(27)28-26)20-11-9-19(10-12-20)18-7-8-18;1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18;1-14(5-12(21)20(2)13(16)19-14)10-3-8(6-22-10)9-4-11(15)18-7-17-9/h2-16,18H,17H2,1H3,(H2,28,29);2*4-6,9-12,15,17-18,23H,7-8,13-14,16H2,1-3H3,(H2,27,28);5-10,12,15H,3-4H2,1-2H3,(H2,19,21);3-4,6-7H,5H2,1-2H3,(H2,16,19)/t;17-,23+,26+;17-,23-,26+;15-,18-;14-/m.0010/s1
InChIKeyVSAWLNICSMGEMJ-URMXNUKYSA-N
XLogP18.80
TPSA338.60 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001946.98
LogP ≤ 518.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 161383632) is (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one is CN1C(=O)C[C@@](C)(c2cc(-c3cc(Cl)ncn3)cs2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2cc(-c3ccncc3)cs2)N=C1N.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3c3ccc(C4CC4)cc3)c2)C1.C[C@H]1CCN(c2cccc([C@@]3(C)N=C(N)N(C)C(=O)[C@H]3c3ccc(C4CC4)cc3)c2)C1.Cc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.
What is the InChIKey of (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is VSAWLNICSMGEMJ-URMXNUKYSA-N. The full InChI is InChI=1S/C27H23N3OS.2C26H32N4O.C18H20N4OS.C14H14ClN5OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23;2*1-17-13-14-30(16-17)22-6-4-5-21(15-22)26(2)23(24(31)29(3)25(27)28-26)20-11-9-19(10-12-20)18-7-8-18;1-18(14-9-13(10-24-14)11-5-7-20-8-6-11)15(12-3-4-12)16(23)22(2)17(19)21-18;1-14(5-12(21)20(2)13(16)19-14)10-3-8(6-22-10)9-4-11(15)18-7-17-9/h2-16,18H,17H2,1H3,(H2,28,29);2*4-6,9-12,15,17-18,23H,7-8,13-14,16H2,1-3H3,(H2,27,28);5-10,12,15H,3-4H2,1-2H3,(H2,19,21);3-4,6-7H,5H2,1-2H3,(H2,16,19)/t;17-,23+,26+;17-,23-,26+;15-,18-;14-/m.0010/s1.
What are the key properties of (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
(6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 1946.98 g/mol, XLogP of 18.80, 18 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[4-(6-chloropyrimidin-4-yl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-4-ylthiophen-2-yl)-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-cyclopropylphenyl)-3,6-dimethyl-6-[3-[(3S)-3-methylpyrrolidin-1-yl]phenyl]-5H-pyrimidin-4-one;2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 161383632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).