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

C27H26F2N6S — CID 155528384

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

N-(4-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155528384) has the molecular formula C27H26F2N6S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-(4-cyclopropyl-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-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
• PubChem CID: 155528384
• Molecular Formula: C27H26F2N6S
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.19
• IUPAC Name: N-(4-cyclopropyl-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(C2CC2)c1F
• InChI: InChI=1S/C27H26F2N6S/c1-15-23(29)20(16-2-3-16)14-22(32-15)34-27-31-13-10-21(33-27)25-24(17-4-6-19(28)7-5-17)35-26(36-25)18-8-11-30-12-9-18/h4-7,10,13-14,16,18,30H,2-3,8-9,11-12H2,1H3,(H,31,32,33,34)
• InChIKey: ORAOYXXUBZCBJN-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 75.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-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-cyclopropyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155528384) is N-(4-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(C2CC2)c1F.

What is the InChIKey of N-(4-cyclopropyl-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 ORAOYXXUBZCBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N6S/c1-15-23(29)20(16-2-3-16)14-22(32-15)34-27-31-13-10-21(33-27)25-24(17-4-6-19(28)7-5-17)35-26(36-25)18-8-11-30-12-9-18/h4-7,10,13-14,16,18,30H,2-3,8-9,11-12H2,1H3,(H,31,32,33,34).

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

N-(4-cyclopropyl-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 504.61 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclopropyl-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 155528384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).