N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride

C36H52ClN9O4S2 — CID 167556796

About N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride

N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride (PubChem CID 167556796) has the molecular formula C36H52ClN9O4S2 and a molecular weight of 774.46 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride.

Molecular Properties

• Compound Name: N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride
• PubChem CID: 167556796
• Molecular Formula: C36H52ClN9O4S2
• Molecular Weight: 774.46 g/mol
• Exact Mass: 773.33
• IUPAC Name: N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride
• SMILES: CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1.Cl
• InChI: InChI=1S/C21H30N4O3S.C15H21N5OS.ClH/c1-5-16-23-17(25-20-22-13-15(29-20)14-8-6-9-14)12-18(24-16)27-11-7-10-19(26)28-21(2,3)4;1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10;/h12-14H,5-11H2,1-4H3,(H,22,23,24,25);8-10H,2-7,16H2,1H3,(H,17,18,19,20);1H
• InChIKey: NWTVUOOXAMOAAH-UHFFFAOYSA-N
• XLogP: 8.27
• TPSA: 172.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	774.46
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride?

The IUPAC name of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride (CID 167556796) is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride.

What is the SMILES notation for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride?

The canonical SMILES for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride is CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCCC(=O)OC(C)(C)C)n1.CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1.Cl.

What is the InChIKey of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride?

The InChIKey is NWTVUOOXAMOAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3S.C15H21N5OS.ClH/c1-5-16-23-17(25-20-22-13-15(29-20)14-8-6-9-14)12-18(24-16)27-11-7-10-19(26)28-21(2,3)4;1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10;/h12-14H,5-11H2,1-4H3,(H,22,23,24,25);8-10H,2-7,16H2,1H3,(H,17,18,19,20);1H.

What are the key properties of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride?

N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride has a molecular weight of 774.46 g/mol, XLogP of 8.27, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine;tert-butyl 4-[6-[(5-cyclobutyl-1,3-thiazol-2-yl)amino]-2-ethylpyrimidin-4-yl]oxybutanoate;hydrochloride is sourced from PubChem (CID 167556796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).