N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C103H86N20O6S5 — CID 157429362

IUPACN-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.COc1ccc(Oc2ccccc2)cc1N(C)c1ncc(C)c(-c2nccs2)n1.COc1ccc(Oc2ccccc2)cc1Nc1nccc(-c2nccs2)n1.Cc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Cc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C22H20N4O2S.C21H18N4OS.C20H16N4O2S.C20H16N4OS.C20H16N4S/c1-15-14-24-22(25-20(15)21-23-11-12-29-21)26(2)18-13-17(9-10-19(18)27-3)28-16-7-5-4-6-8-16;1-15-5-2-3-6-16(15)14-26-18-8-4-7-17(13-18)24-21-23-10-9-19(25-21)20-22-11-12-27-20;1-25-18-8-7-15(26-14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-27-19;1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;1-14-5-7-15(8-6-14)16-3-2-4-17(13-16)23-20-22-10-9-18(24-20)19-21-11-12-25-19/h4-14H,1-3H3;2-13H,14H2,1H3,(H,23,24,25);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24)
InChIKeyBQISIQFEEFJCCM-UHFFFAOYSA-N
MW1860.29 g/mol
LogP26.19
Rot. Bonds27

About N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 157429362) has the molecular formula C103H86N20O6S5 and a molecular weight of 1860.29 g/mol. Its IUPAC name is N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID157429362
Molecular FormulaC103H86N20O6S5
Molecular Weight1860.29 g/mol
Exact Mass1858.56
IUPAC NameN-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.COc1ccc(Oc2ccccc2)cc1N(C)c1ncc(C)c(-c2nccs2)n1.COc1ccc(Oc2ccccc2)cc1Nc1nccc(-c2nccs2)n1.Cc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Cc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C22H20N4O2S.C21H18N4OS.C20H16N4O2S.C20H16N4OS.C20H16N4S/c1-15-14-24-22(25-20(15)21-23-11-12-29-21)26(2)18-13-17(9-10-19(18)27-3)28-16-7-5-4-6-8-16;1-15-5-2-3-6-16(15)14-26-18-8-4-7-17(13-18)24-21-23-10-9-19(25-21)20-22-11-12-27-20;1-25-18-8-7-15(26-14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-27-19;1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;1-14-5-7-15(8-6-14)16-3-2-4-17(13-16)23-20-22-10-9-18(24-20)19-21-11-12-25-19/h4-14H,1-3H3;2-13H,14H2,1H3,(H,23,24,25);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24)
InChIKeyBQISIQFEEFJCCM-UHFFFAOYSA-N
XLogP26.19
TPSA300.09 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001860.29
LogP ≤ 526.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 157429362) is N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is COc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.COc1ccc(Oc2ccccc2)cc1N(C)c1ncc(C)c(-c2nccs2)n1.COc1ccc(Oc2ccccc2)cc1Nc1nccc(-c2nccs2)n1.Cc1ccc(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1.Cc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.
What is the InChIKey of N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is BQISIQFEEFJCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S.C21H18N4OS.C20H16N4O2S.C20H16N4OS.C20H16N4S/c1-15-14-24-22(25-20(15)21-23-11-12-29-21)26(2)18-13-17(9-10-19(18)27-3)28-16-7-5-4-6-8-16;1-15-5-2-3-6-16(15)14-26-18-8-4-7-17(13-18)24-21-23-10-9-19(25-21)20-22-11-12-27-20;1-25-18-8-7-15(26-14-5-3-2-4-6-14)13-17(18)24-20-22-10-9-16(23-20)19-21-11-12-27-19;1-25-17-7-5-14(6-8-17)15-3-2-4-16(13-15)23-20-22-10-9-18(24-20)19-21-11-12-26-19;1-14-5-7-15(8-6-14)16-3-2-4-17(13-16)23-20-22-10-9-18(24-20)19-21-11-12-25-19/h4-14H,1-3H3;2-13H,14H2,1H3,(H,23,24,25);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24);2-13H,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1860.29 g/mol, XLogP of 26.19, 27 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenoxyphenyl)-N,5-dimethyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(2-methoxy-5-phenoxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-methylphenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(4-methylphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 157429362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).