N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C99H76Cl3N23O3S5 — CID 160504531

About N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 160504531) has the molecular formula C99H76Cl3N23O3S5 and a molecular weight of 1902.55 g/mol. Its IUPAC name is N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• PubChem CID: 160504531
• Molecular Formula: C99H76Cl3N23O3S5
• Molecular Weight: 1902.55 g/mol
• Exact Mass: 1899.42
• IUPAC Name: N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
• SMILES: Cc1cnc(Nc2cccc(-c3cccc(N)c3)c2)nc1-c1nccs1.Cc1cnc(Nc2cccc(-c3cccnc3)c2)nc1-c1nccs1.Clc1cccc(Cl)c1CNc1cccc(Nc2nccc(-c3nccs3)n2)c1.Clc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(-c2ccc3c(c2)OCO3)c1
• InChI: InChI=1S/C20H15Cl2N5S.C20H15ClN4OS.C20H17N5S.C20H14N4O2S.C19H15N5S/c21-16-5-2-6-17(22)15(16)12-25-13-3-1-4-14(11-13)26-20-24-8-7-18(27-20)19-23-9-10-28-19;21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19;1-13-12-23-20(25-18(13)19-22-8-9-26-19)24-17-7-3-5-15(11-17)14-4-2-6-16(21)10-14;1-2-13(14-4-5-17-18(11-14)26-12-25-17)10-15(3-1)23-20-22-7-6-16(24-20)19-21-8-9-27-19;1-13-11-22-19(24-17(13)18-21-8-9-25-18)23-16-6-2-4-14(10-16)15-5-3-7-20-12-15/h1-11,25H,12H2,(H,24,26,27);1-12H,13H2,(H,23,24,25);2-12H,21H2,1H3,(H,23,24,25);1-11H,12H2,(H,22,23,24);2-12H,1H3,(H,22,23,24)
• InChIKey: QSFHTZXCHMNJEK-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 332.13 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1902.55
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The IUPAC name of N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 160504531) is N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The canonical SMILES for N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cnc(Nc2cccc(-c3cccc(N)c3)c2)nc1-c1nccs1.Cc1cnc(Nc2cccc(-c3cccnc3)c2)nc1-c1nccs1.Clc1cccc(Cl)c1CNc1cccc(Nc2nccc(-c3nccs3)n2)c1.Clc1ccccc1COc1cccc(Nc2nccc(-c3nccs3)n2)c1.c1cc(Nc2nccc(-c3nccs3)n2)cc(-c2ccc3c(c2)OCO3)c1.

What is the InChIKey of N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

The InChIKey is QSFHTZXCHMNJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5S.C20H15ClN4OS.C20H17N5S.C20H14N4O2S.C19H15N5S/c21-16-5-2-6-17(22)15(16)12-25-13-3-1-4-14(11-13)26-20-24-8-7-18(27-20)19-23-9-10-28-19;21-17-7-2-1-4-14(17)13-26-16-6-3-5-15(12-16)24-20-23-9-8-18(25-20)19-22-10-11-27-19;1-13-12-23-20(25-18(13)19-22-8-9-26-19)24-17-7-3-5-15(11-17)14-4-2-6-16(21)10-14;1-2-13(14-4-5-17-18(11-14)26-12-25-17)10-15(3-1)23-20-22-7-6-16(24-20)19-21-8-9-27-19;1-13-11-22-19(24-17(13)18-21-8-9-25-18)23-16-6-2-4-14(10-16)15-5-3-7-20-12-15/h1-11,25H,12H2,(H,24,26,27);1-12H,13H2,(H,23,24,25);2-12H,21H2,1H3,(H,23,24,25);1-11H,12H2,(H,22,23,24);2-12H,1H3,(H,22,23,24).

What are the key properties of N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?

N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 1902.55 g/mol, XLogP of 26.19, 24 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-aminophenyl)phenyl]-5-methyl-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-(1,3-benzodioxol-5-yl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;N-[3-[(2-chlorophenyl)methoxy]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine;1-N-[(2,6-dichlorophenyl)methyl]-3-N-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]benzene-1,3-diamine;5-methyl-N-(3-pyridin-3-ylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 160504531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).