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

C25H25FN6OS — CID 155541728

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1
InChIInChI=1S/C25H25FN6OS/c1-15-13-19(14-21(29-15)33-2)30-25-28-12-9-20(31-25)23-22(16-3-5-18(26)6-4-16)32-24(34-23)17-7-10-27-11-8-17/h3-6,9,12-14,17,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31)
InChIKeyDKNIAUBHOPFIKK-UHFFFAOYSA-N
MW476.58 g/mol
LogP5.33
Rot. Bonds6

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

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 155541728) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID155541728
Molecular FormulaC25H25FN6OS
Molecular Weight476.58 g/mol
Exact Mass476.18
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1
InChIInChI=1S/C25H25FN6OS/c1-15-13-19(14-21(29-15)33-2)30-25-28-12-9-20(31-25)23-22(16-3-5-18(26)6-4-16)32-24(34-23)17-7-10-27-11-8-17/h3-6,9,12-14,17,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31)
InChIKeyDKNIAUBHOPFIKK-UHFFFAOYSA-N
XLogP5.33
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine (CID 155541728) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is DKNIAUBHOPFIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c1-15-13-19(14-21(29-15)33-2)30-25-28-12-9-20(31-25)23-22(16-3-5-18(26)6-4-16)32-24(34-23)17-7-10-27-11-8-17/h3-6,9,12-14,17,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 476.58 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 155541728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).