N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C87H67N23O6S6 — CID 159129560

IUPACN-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(OC)c(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.NS(=O)(=O)c1ccc(Nc2nccc(-c3nccs3)n2)cc1.c1cc(Nc2nccc(-c3nccs3)n2)cc(Oc2ccncc2)c1.c1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)nc1.c1ccc2cc(Nc3nccc(-c4nccs4)n3)ccc2c1
InChIInChI=1S/C21H18N4O2S.2C18H13N5OS.C17H12N4S.C13H11N5O2S2/c1-26-16-6-7-19(27-2)17(13-16)14-4-3-5-15(12-14)24-21-23-9-8-18(25-21)20-22-10-11-28-20;1-2-8-19-16(6-1)24-14-5-3-4-13(12-14)22-18-21-9-7-15(23-18)17-20-10-11-25-17;1-2-13(12-15(3-1)24-14-4-7-19-8-5-14)22-18-21-9-6-16(23-18)17-20-10-11-25-17;1-2-4-13-11-14(6-5-12(13)3-1)20-17-19-8-7-15(21-17)16-18-9-10-22-16;14-22(19,20)10-3-1-9(2-4-10)17-13-16-6-5-11(18-13)12-15-7-8-21-12/h3-13H,1-2H3,(H,23,24,25);2*1-12H,(H,21,22,23);1-11H,(H,19,20,21);1-8H,(H2,14,19,20)(H,16,17,18)
InChIKeyKGSAYSTWSSZMMQ-UHFFFAOYSA-N
MW1723.05 g/mol
LogP20.58
Rot. Bonds23

About N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide

N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 159129560) has the molecular formula C87H67N23O6S6 and a molecular weight of 1723.05 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID159129560
Molecular FormulaC87H67N23O6S6
Molecular Weight1723.05 g/mol
Exact Mass1721.40
IUPAC NameN-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCOc1ccc(OC)c(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.NS(=O)(=O)c1ccc(Nc2nccc(-c3nccs3)n2)cc1.c1cc(Nc2nccc(-c3nccs3)n2)cc(Oc2ccncc2)c1.c1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)nc1.c1ccc2cc(Nc3nccc(-c4nccs4)n3)ccc2c1
InChIInChI=1S/C21H18N4O2S.2C18H13N5OS.C17H12N4S.C13H11N5O2S2/c1-26-16-6-7-19(27-2)17(13-16)14-4-3-5-15(12-14)24-21-23-9-8-18(25-21)20-22-10-11-28-20;1-2-8-19-16(6-1)24-14-5-3-4-13(12-14)22-18-21-9-7-15(23-18)17-20-10-11-25-17;1-2-13(12-15(3-1)24-14-4-7-19-8-5-14)22-18-21-9-6-16(23-18)17-20-10-11-25-17;1-2-4-13-11-14(6-5-12(13)3-1)20-17-19-8-7-15(21-17)16-18-9-10-22-16;14-22(19,20)10-3-1-9(2-4-10)17-13-16-6-5-11(18-13)12-15-7-8-21-12/h3-13H,1-2H3,(H,23,24,25);2*1-12H,(H,21,22,23);1-11H,(H,19,20,21);1-8H,(H2,14,19,20)(H,16,17,18)
InChIKeyKGSAYSTWSSZMMQ-UHFFFAOYSA-N
XLogP20.58
TPSA376.36 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001723.05
LogP ≤ 520.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 159129560) is N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is COc1ccc(OC)c(-c2cccc(Nc3nccc(-c4nccs4)n3)c2)c1.NS(=O)(=O)c1ccc(Nc2nccc(-c3nccs3)n2)cc1.c1cc(Nc2nccc(-c3nccs3)n2)cc(Oc2ccncc2)c1.c1ccc(Oc2cccc(Nc3nccc(-c4nccs4)n3)c2)nc1.c1ccc2cc(Nc3nccc(-c4nccs4)n3)ccc2c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is KGSAYSTWSSZMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.2C18H13N5OS.C17H12N4S.C13H11N5O2S2/c1-26-16-6-7-19(27-2)17(13-16)14-4-3-5-15(12-14)24-21-23-9-8-18(25-21)20-22-10-11-28-20;1-2-8-19-16(6-1)24-14-5-3-4-13(12-14)22-18-21-9-7-15(23-18)17-20-10-11-25-17;1-2-13(12-15(3-1)24-14-4-7-19-8-5-14)22-18-21-9-6-16(23-18)17-20-10-11-25-17;1-2-4-13-11-14(6-5-12(13)3-1)20-17-19-8-7-15(21-17)16-18-9-10-22-16;14-22(19,20)10-3-1-9(2-4-10)17-13-16-6-5-11(18-13)12-15-7-8-21-12/h3-13H,1-2H3,(H,23,24,25);2*1-12H,(H,21,22,23);1-11H,(H,19,20,21);1-8H,(H2,14,19,20)(H,16,17,18).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide?
N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 1723.05 g/mol, XLogP of 20.58, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-naphthalen-2-yl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-2-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-(3-pyridin-4-yloxyphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;4-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 159129560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).