N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C28H28F2N6S — CID 155554137

About N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155554137) has the molecular formula C28H28F2N6S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
• PubChem CID: 155554137
• Molecular Formula: C28H28F2N6S
• Molecular Weight: 518.64 g/mol
• Exact Mass: 518.21
• IUPAC Name: N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
• SMILES: Cc1nc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C2CCC2)c1F
• InChI: InChI=1S/C28H28F2N6S/c1-16-24(30)21(17-3-2-4-17)15-23(33-16)35-28-32-14-11-22(34-28)26-25(18-5-7-20(29)8-6-18)36-27(37-26)19-9-12-31-13-10-19/h5-8,11,14-15,17,19,31H,2-4,9-10,12-13H2,1H3,(H,32,33,34,35)
• InChIKey: DZWBGHDPAGPNMW-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 75.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.64
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The IUPAC name of N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155554137) is N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

What is the SMILES notation for N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The canonical SMILES for N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C2CCC2)c1F.

What is the InChIKey of N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

The InChIKey is DZWBGHDPAGPNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6S/c1-16-24(30)21(17-3-2-4-17)15-23(33-16)35-28-32-14-11-22(34-28)26-25(18-5-7-20(29)8-6-18)36-27(37-26)19-9-12-31-13-10-19/h5-8,11,14-15,17,19,31H,2-4,9-10,12-13H2,1H3,(H,32,33,34,35).

What are the key properties of N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?

N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 518.64 g/mol, XLogP of 6.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclobutyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155554137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).