(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate

C103H106Br2N12O10 — CID 159921764

IUPAC(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate
SMILESCC1(C)CCC(O)c2ccc(Br)cc21.CC1(C)C[C@@H](O)[C@H](N)c2ccc(Br)cc21.COc1ccc(COc2ccc(-c3nc(-c4ccccc4)c(NC(=O)Oc4ccc(C)cc4)cc3C)cn2)cc1.Cc1cc(N)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C(C)(C)O)nc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C33H29N3O4.C27H26N4O3.C19H20N4O.C12H16BrNO.C12H15BrO/c1-22-9-14-28(15-10-22)40-33(37)35-29-19-23(2)31(36-32(29)25-7-5-4-6-8-25)26-13-18-30(34-20-26)39-21-24-11-16-27(38-3)17-12-24;1-17-10-12-21(13-11-17)34-26(32)30-22-14-18(2)23(31-24(22)19-8-6-5-7-9-19)20-15-28-25(29-16-20)27(3,4)33;1-12-9-15(20)17(13-7-5-4-6-8-13)23-16(12)14-10-21-18(22-11-14)19(2,3)24;1-12(2)6-10(15)11(14)8-4-3-7(13)5-9(8)12;1-12(2)6-5-11(14)9-4-3-8(13)7-10(9)12/h4-20H,21H2,1-3H3,(H,35,37);5-16,33H,1-4H3,(H,30,32);4-11,24H,20H2,1-3H3;3-5,10-11,15H,6,14H2,1-2H3;3-4,7,11,14H,5-6H2,1-2H3/t;;;10-,11-;/m...1./s1
InChIKeyNYMKBIDSOPYOHA-KLPWSSISSA-N
MW1831.86 g/mol
LogP22.66
Rot. Bonds16

About (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate

(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate (PubChem CID 159921764) has the molecular formula C103H106Br2N12O10 and a molecular weight of 1831.86 g/mol. Its IUPAC name is (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Name(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate
PubChem CID159921764
Molecular FormulaC103H106Br2N12O10
Molecular Weight1831.86 g/mol
Exact Mass1828.65
IUPAC Name(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate
SMILESCC1(C)CCC(O)c2ccc(Br)cc21.CC1(C)C[C@@H](O)[C@H](N)c2ccc(Br)cc21.COc1ccc(COc2ccc(-c3nc(-c4ccccc4)c(NC(=O)Oc4ccc(C)cc4)cc3C)cn2)cc1.Cc1cc(N)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C(C)(C)O)nc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C33H29N3O4.C27H26N4O3.C19H20N4O.C12H16BrNO.C12H15BrO/c1-22-9-14-28(15-10-22)40-33(37)35-29-19-23(2)31(36-32(29)25-7-5-4-6-8-25)26-13-18-30(34-20-26)39-21-24-11-16-27(38-3)17-12-24;1-17-10-12-21(13-11-17)34-26(32)30-22-14-18(2)23(31-24(22)19-8-6-5-7-9-19)20-15-28-25(29-16-20)27(3,4)33;1-12-9-15(20)17(13-7-5-4-6-8-13)23-16(12)14-10-21-18(22-11-14)19(2,3)24;1-12(2)6-10(15)11(14)8-4-3-7(13)5-9(8)12;1-12(2)6-5-11(14)9-4-3-8(13)7-10(9)12/h4-20H,21H2,1-3H3,(H,35,37);5-16,33H,1-4H3,(H,30,32);4-11,24H,20H2,1-3H3;3-5,10-11,15H,6,14H2,1-2H3;3-4,7,11,14H,5-6H2,1-2H3/t;;;10-,11-;/m...1./s1
InChIKeyNYMKBIDSOPYOHA-KLPWSSISSA-N
XLogP22.66
TPSA331.20 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001831.86
LogP ≤ 522.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

5-[[(2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-carbamoyl-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate
CID 158805709
(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
CID 159127452
5-amino-N-(2-hydroxy-2-methylpropyl)-3-methyl-6-phenylpyridine-2-carboxamide;1-[(2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-3-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)urea;2-(3,6-dihydro-2H-pyran-4-yl)-5-methylpyridin-3-amine;(4-methylphenyl) N-[6-[(2-hydroxy-2-methylpropyl)carbamoyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-(6-isocyano-5-methyl-2-phenyl-3-pyridinyl)carbamate
CID 159406394
2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenylpyridin-3-amine;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate
CID 160363431
5-[[(2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate
CID 160635342
5-[[(1R,2R)-6-bromo-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-(oxan-4-yl)pyridine-2-carboxamide;1-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]-3-[(1R,2R)-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]urea;5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)pyridin-3-amine;(4-methylphenyl) N-[6-bromo-5-methyl-2-(oxan-4-yl)-3-pyridinyl]carbamate;(4-methylphenyl) N-[5-methyl-6-(2-methylpyrimidin-5-yl)-2-(oxan-4-yl)-3-pyridinyl]carbamate
CID 160635343

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate?
The IUPAC name of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate (CID 159921764) is (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate.
What is the SMILES notation for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate?
The canonical SMILES for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate is CC1(C)CCC(O)c2ccc(Br)cc21.CC1(C)C[C@@H](O)[C@H](N)c2ccc(Br)cc21.COc1ccc(COc2ccc(-c3nc(-c4ccccc4)c(NC(=O)Oc4ccc(C)cc4)cc3C)cn2)cc1.Cc1cc(N)c(-c2ccccc2)nc1-c1cnc(C(C)(C)O)nc1.Cc1ccc(OC(=O)Nc2cc(C)c(-c3cnc(C(C)(C)O)nc3)nc2-c2ccccc2)cc1.
What is the InChIKey of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate?
The InChIKey is NYMKBIDSOPYOHA-KLPWSSISSA-N. The full InChI is InChI=1S/C33H29N3O4.C27H26N4O3.C19H20N4O.C12H16BrNO.C12H15BrO/c1-22-9-14-28(15-10-22)40-33(37)35-29-19-23(2)31(36-32(29)25-7-5-4-6-8-25)26-13-18-30(34-20-26)39-21-24-11-16-27(38-3)17-12-24;1-17-10-12-21(13-11-17)34-26(32)30-22-14-18(2)23(31-24(22)19-8-6-5-7-9-19)20-15-28-25(29-16-20)27(3,4)33;1-12-9-15(20)17(13-7-5-4-6-8-13)23-16(12)14-10-21-18(22-11-14)19(2,3)24;1-12(2)6-10(15)11(14)8-4-3-7(13)5-9(8)12;1-12(2)6-5-11(14)9-4-3-8(13)7-10(9)12/h4-20H,21H2,1-3H3,(H,35,37);5-16,33H,1-4H3,(H,30,32);4-11,24H,20H2,1-3H3;3-5,10-11,15H,6,14H2,1-2H3;3-4,7,11,14H,5-6H2,1-2H3/t;;;10-,11-;/m...1./s1.
What are the key properties of (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate?
(1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate has a molecular weight of 1831.86 g/mol, XLogP of 22.66, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-2-ol;2-[5-(5-amino-3-methyl-6-phenyl-2-pyridinyl)pyrimidin-2-yl]propan-2-ol;6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol;(4-methylphenyl) N-[6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]-5-methyl-2-phenyl-3-pyridinyl]carbamate;(4-methylphenyl) N-[6-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]-5-methyl-2-phenyl-3-pyridinyl]carbamate is sourced from PubChem (CID 159921764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).