(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C59H65Br2ClN10O3S — CID 159572285

IUPAC(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC[C@@]1(c2cc(Br)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2cccc(Br)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(Cl)c3)ccn2)N=C1N
InChIInChI=1S/C26H25ClN4O.C22H26BrN3O.C11H14BrN3OS/c1-26(22-15-20(12-13-29-22)19-4-3-5-21(27)14-19)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-21(2,3)15-11-9-14(10-12-15)18-19(27)26(5)20(24)25-22(18,4)16-7-6-8-17(23)13-16;1-3-11(8-4-7(12)6-17-8)5-9(16)15(2)10(13)14-11/h3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);6-13,18H,1-5H3,(H2,24,25);4,6H,3,5H2,1-2H3,(H2,13,14)/t23-,26+;18-,22+;11-/m000/s1
InChIKeyMHYYVSMTZNQZMX-NNHWWQGFSA-N
MW1189.56 g/mol
LogP11.89
Rot. Bonds8

About (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one

(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 159572285) has the molecular formula C59H65Br2ClN10O3S and a molecular weight of 1189.56 g/mol. Its IUPAC name is (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID159572285
Molecular FormulaC59H65Br2ClN10O3S
Molecular Weight1189.56 g/mol
Exact Mass1186.30
IUPAC Name(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC[C@@]1(c2cc(Br)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2cccc(Br)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(Cl)c3)ccn2)N=C1N
InChIInChI=1S/C26H25ClN4O.C22H26BrN3O.C11H14BrN3OS/c1-26(22-15-20(12-13-29-22)19-4-3-5-21(27)14-19)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-21(2,3)15-11-9-14(10-12-15)18-19(27)26(5)20(24)25-22(18,4)16-7-6-8-17(23)13-16;1-3-11(8-4-7(12)6-17-8)5-9(16)15(2)10(13)14-11/h3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);6-13,18H,1-5H3,(H2,24,25);4,6H,3,5H2,1-2H3,(H2,13,14)/t23-,26+;18-,22+;11-/m000/s1
InChIKeyMHYYVSMTZNQZMX-NNHWWQGFSA-N
XLogP11.89
TPSA188.96 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.56
LogP ≤ 511.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 159572285) is (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CC[C@@]1(c2cc(Br)cs2)CC(=O)N(C)C(N)=N1.CN1C(=O)[C@H](c2ccc(C(C)(C)C)cc2)[C@@](C)(c2cccc(Br)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2cc(-c3cccc(Cl)c3)ccn2)N=C1N.
What is the InChIKey of (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is MHYYVSMTZNQZMX-NNHWWQGFSA-N. The full InChI is InChI=1S/C26H25ClN4O.C22H26BrN3O.C11H14BrN3OS/c1-26(22-15-20(12-13-29-22)19-4-3-5-21(27)14-19)23(24(32)31(2)25(28)30-26)18-10-8-17(9-11-18)16-6-7-16;1-21(2,3)15-11-9-14(10-12-15)18-19(27)26(5)20(24)25-22(18,4)16-7-6-8-17(23)13-16;1-3-11(8-4-7(12)6-17-8)5-9(16)15(2)10(13)14-11/h3-5,8-16,23H,6-7H2,1-2H3,(H2,28,30);6-13,18H,1-5H3,(H2,24,25);4,6H,3,5H2,1-2H3,(H2,13,14)/t23-,26+;18-,22+;11-/m000/s1.
What are the key properties of (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
(5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 1189.56 g/mol, XLogP of 11.89, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-2-amino-6-(3-bromophenyl)-5-(4-tert-butylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(4-bromothiophen-2-yl)-6-ethyl-3-methyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(3-chlorophenyl)-2-pyridinyl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 159572285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).