6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C67H88ClN19O8S3 — CID 167709453

About 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 167709453) has the molecular formula C67H88ClN19O8S3 and a molecular weight of 1419.22 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
• PubChem CID: 167709453
• Molecular Formula: C67H88ClN19O8S3
• Molecular Weight: 1419.22 g/mol
• Exact Mass: 1417.59
• IUPAC Name: 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
• SMILES: CC(C)(C)OC(=O)NCCN.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.Cc1nc(Cl)cc(Nc2ncc(-c3ccccc3)s2)n1.Cc1nc(NCCN)cc(Nc2ncc(-c3ccccc3)s2)n1.Cc1nc(NCCNC(=O)OC(C)(C)C)cc(Nc2ncc(-c3ccccc3)s2)n1
• InChI: InChI=1S/C21H26N6O2S.C16H18N6S.C14H11ClN4S.C9H17NO4.C7H16N2O2/c1-14-25-17(22-10-11-23-20(28)29-21(2,3)4)12-18(26-14)27-19-24-13-16(30-19)15-8-6-5-7-9-15;1-11-20-14(18-8-7-17)9-15(21-11)22-16-19-10-13(23-16)12-5-3-2-4-6-12;1-9-17-12(15)7-13(18-9)19-14-16-8-11(20-14)10-5-3-2-4-6-10;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-7(2,3)11-6(10)9-5-4-8/h5-9,12-13H,10-11H2,1-4H3,(H,23,28)(H2,22,24,25,26,27);2-6,9-10H,7-8,17H2,1H3,(H2,18,19,20,21,22);2-8H,1H3,(H,16,17,18,19);6H,1-5H3,(H,11,12);4-5,8H2,1-3H3,(H,9,10)/t;;;6-;/m...0./s1
• InChIKey: ZPDLERJGLDAMRU-HICVMEQISA-N
• XLogP: 13.71
• TPSA: 371.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1419.22
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?

The IUPAC name of 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 167709453) is 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

What is the SMILES notation for 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?

The canonical SMILES for 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(C)(C)OC(=O)NCCN.C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.Cc1nc(Cl)cc(Nc2ncc(-c3ccccc3)s2)n1.Cc1nc(NCCN)cc(Nc2ncc(-c3ccccc3)s2)n1.Cc1nc(NCCNC(=O)OC(C)(C)C)cc(Nc2ncc(-c3ccccc3)s2)n1.

What is the InChIKey of 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?

The InChIKey is ZPDLERJGLDAMRU-HICVMEQISA-N. The full InChI is InChI=1S/C21H26N6O2S.C16H18N6S.C14H11ClN4S.C9H17NO4.C7H16N2O2/c1-14-25-17(22-10-11-23-20(28)29-21(2,3)4)12-18(26-14)27-19-24-13-16(30-19)15-8-6-5-7-9-15;1-11-20-14(18-8-7-17)9-15(21-11)22-16-19-10-13(23-16)12-5-3-2-4-6-12;1-9-17-12(15)7-13(18-9)19-14-16-8-11(20-14)10-5-3-2-4-6-10;1-6(7(11)12)10(5)8(13)14-9(2,3)4;1-7(2,3)11-6(10)9-5-4-8/h5-9,12-13H,10-11H2,1-4H3,(H,23,28)(H2,22,24,25,26,27);2-6,9-10H,7-8,17H2,1H3,(H2,18,19,20,21,22);2-8H,1H3,(H,16,17,18,19);6H,1-5H3,(H,11,12);4-5,8H2,1-3H3,(H,9,10)/t;;;6-;/m...0./s1.

What are the key properties of 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?

6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 1419.22 g/mol, XLogP of 13.71, 20 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(2-aminoethyl)-2-methyl-4-N-(5-phenyl-1,3-thiazol-2-yl)pyrimidine-4,6-diamine;tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]amino]ethyl]carbamate;N-(6-chloro-2-methylpyrimidin-4-yl)-5-phenyl-1,3-thiazol-2-amine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 167709453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).