2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide

C106H109FN32O4S2 — CID 160626567

About 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide

2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide (PubChem CID 160626567) has the molecular formula C106H109FN32O4S2 and a molecular weight of 1978.39 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide
• PubChem CID: 160626567
• Molecular Formula: C106H109FN32O4S2
• Molecular Weight: 1978.39 g/mol
• Exact Mass: 1976.87
• IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide
• SMILES: CC(=O)Nc1ccc(Oc2nc(Nn3cc(C)cn3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nn2cccn2)c2ccccc2n1.CCN(Cc1cccc(F)c1)c1nc(C)c(C)c(Nn2cc(C3CC3)cn2)n1.CN1CCN(c2cc(Nn3ncc4ccccc43)nc(N(C)c3ccc4ncsc4c3)n2)CC1.COCc1cnn(Nc2nc(Sc3cccc(OC)c3)nc3ccccc23)c1
• InChI: InChI=1S/C24H25N9S.C21H25FN6.C21H22N6.C20H18N6O2.C20H19N5O2S/c1-30-9-11-32(12-10-30)23-14-22(29-33-20-6-4-3-5-17(20)15-26-33)27-24(28-23)31(2)18-7-8-19-21(13-18)34-16-25-19;1-4-27(12-16-6-5-7-19(22)10-16)21-24-15(3)14(2)20(25-21)26-28-13-18(11-23-28)17-8-9-17;1-2-26(16-13-17-9-4-3-5-10-17)21-23-19-12-7-6-11-18(19)20(24-21)25-27-15-8-14-22-27;1-13-11-21-26(12-13)25-19-17-5-3-4-6-18(17)23-20(24-19)28-16-9-7-15(8-10-16)22-14(2)27;1-26-13-14-11-21-25(12-14)24-19-17-8-3-4-9-18(17)22-20(23-19)28-16-7-5-6-15(10-16)27-2/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,29);5-7,10-11,13,17H,4,8-9,12H2,1-3H3,(H,24,25,26);3-12,14-15H,2,13,16H2,1H3,(H,23,24,25);3-12H,1-2H3,(H,22,27)(H,23,24,25);3-12H,13H2,1-2H3,(H,22,23,24)
• InChIKey: RHJLEIOOYFRBOF-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 364.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1978.39
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide?

The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide (CID 160626567) is 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide.

What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide?

The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2nc(Nn3cc(C)cn3)c3ccccc3n2)cc1.CCN(CCc1ccccc1)c1nc(Nn2cccn2)c2ccccc2n1.CCN(Cc1cccc(F)c1)c1nc(C)c(C)c(Nn2cc(C3CC3)cn2)n1.CN1CCN(c2cc(Nn3ncc4ccccc43)nc(N(C)c3ccc4ncsc4c3)n2)CC1.COCc1cnn(Nc2nc(Sc3cccc(OC)c3)nc3ccccc23)c1.

What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide?

The InChIKey is RHJLEIOOYFRBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9S.C21H25FN6.C21H22N6.C20H18N6O2.C20H19N5O2S/c1-30-9-11-32(12-10-30)23-14-22(29-33-20-6-4-3-5-17(20)15-26-33)27-24(28-23)31(2)18-7-8-19-21(13-18)34-16-25-19;1-4-27(12-16-6-5-7-19(22)10-16)21-24-15(3)14(2)20(25-21)26-28-13-18(11-23-28)17-8-9-17;1-2-26(16-13-17-9-4-3-5-10-17)21-23-19-12-7-6-11-18(19)20(24-21)25-27-15-8-14-22-27;1-13-11-21-26(12-13)25-19-17-5-3-4-6-18(17)23-20(24-19)28-16-9-7-15(8-10-16)22-14(2)27;1-26-13-14-11-21-25(12-14)24-19-17-8-3-4-9-18(17)22-20(23-19)28-16-7-5-6-15(10-16)27-2/h3-8,13-16H,9-12H2,1-2H3,(H,27,28,29);5-7,10-11,13,17H,4,8-9,12H2,1-3H3,(H,24,25,26);3-12,14-15H,2,13,16H2,1H3,(H,23,24,25);3-12H,1-2H3,(H,22,27)(H,23,24,25);3-12H,13H2,1-2H3,(H,22,23,24).

What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide?

2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide has a molecular weight of 1978.39 g/mol, XLogP of 19.58, 31 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(1,3-benzothiazol-6-yl)-4-N-indazol-1-yl-2-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine;4-N-(4-cyclopropylpyrazol-1-yl)-2-N-ethyl-2-N-[(3-fluorophenyl)methyl]-5,6-dimethylpyrimidine-2,4-diamine;2-N-ethyl-2-N-(2-phenylethyl)-4-N-pyrazol-1-ylquinazoline-2,4-diamine;N-[4-(methoxymethyl)pyrazol-1-yl]-2-(3-methoxyphenyl)sulfanylquinazolin-4-amine;N-[4-[4-[(4-methylpyrazol-1-yl)amino]quinazolin-2-yl]oxyphenyl]acetamide is sourced from PubChem (CID 160626567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).