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

C26H26F2N6S — CID 155521054

IUPACN-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nc(C)c1F
InChIInChI=1S/C26H26F2N6S/c1-3-16-14-21(31-15(2)22(16)28)33-26-30-13-10-20(32-26)24-23(17-4-6-19(27)7-5-17)34-25(35-24)18-8-11-29-12-9-18/h4-7,10,13-14,18,29H,3,8-9,11-12H2,1-2H3,(H,30,31,32,33)
InChIKeyZTVWDJDCLINLGY-UHFFFAOYSA-N
MW492.60 g/mol
LogP6.02
Rot. Bonds6

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

N-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155521054) has the molecular formula C26H26F2N6S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-(4-ethyl-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 NameN-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155521054
Molecular FormulaC26H26F2N6S
Molecular Weight492.60 g/mol
Exact Mass492.19
IUPAC NameN-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nc(C)c1F
InChIInChI=1S/C26H26F2N6S/c1-3-16-14-21(31-15(2)22(16)28)33-26-30-13-10-20(32-26)24-23(17-4-6-19(27)7-5-17)34-25(35-24)18-8-11-29-12-9-18/h4-7,10,13-14,18,29H,3,8-9,11-12H2,1-2H3,(H,30,31,32,33)
InChIKeyZTVWDJDCLINLGY-UHFFFAOYSA-N
XLogP6.02
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.60
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-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-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155521054) is N-(4-ethyl-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-ethyl-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-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is CCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nc(C)c1F.
What is the InChIKey of N-(4-ethyl-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 ZTVWDJDCLINLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6S/c1-3-16-14-21(31-15(2)22(16)28)33-26-30-13-10-20(32-26)24-23(17-4-6-19(27)7-5-17)34-25(35-24)18-8-11-29-12-9-18/h4-7,10,13-14,18,29H,3,8-9,11-12H2,1-2H3,(H,30,31,32,33).
What are the key properties of N-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(4-ethyl-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 492.60 g/mol, XLogP of 6.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-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 155521054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).