5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

C25H26Cl2N6OS — CID 58688409

IUPAC5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3c(Cl)cc(OC(CC)CC)cc3Cl)nc(-c3cnccn3)n2)s1
InChIInChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31)
InChIKeyQPSPUIQBHBHIQQ-UHFFFAOYSA-N
MW529.50 g/mol
LogP7.42
Rot. Bonds10

About 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine

5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 58688409) has the molecular formula C25H26Cl2N6OS and a molecular weight of 529.50 g/mol. Its IUPAC name is 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID58688409
Molecular FormulaC25H26Cl2N6OS
Molecular Weight529.50 g/mol
Exact Mass528.13
IUPAC Name5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2cc(-c3c(Cl)cc(OC(CC)CC)cc3Cl)nc(-c3cnccn3)n2)s1
InChIInChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31)
InChIKeyQPSPUIQBHBHIQQ-UHFFFAOYSA-N
XLogP7.42
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.50
LogP ≤ 57.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 58688409) is 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2cc(-c3c(Cl)cc(OC(CC)CC)cc3Cl)nc(-c3cnccn3)n2)s1.
What is the InChIKey of 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QPSPUIQBHBHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N6OS/c1-4-7-30-25-31-14-22(35-25)19-12-20(33-24(32-19)21-13-28-8-9-29-21)23-17(26)10-16(11-18(23)27)34-15(5-2)6-3/h8-15H,4-7H2,1-3H3,(H,30,31).
What are the key properties of 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine?
5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 529.50 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,6-dichloro-4-pentan-3-yloxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).