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

C25H25FN6S — CID 155536419

IUPACN-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1
InChIInChI=1S/C25H25FN6S/c1-15-13-20(14-16(2)29-15)30-25-28-12-9-21(31-25)23-22(17-3-5-19(26)6-4-17)32-24(33-23)18-7-10-27-11-8-18/h3-6,9,12-14,18,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31)
InChIKeyGPDUVAKRPQOLEA-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.63
Rot. Bonds5

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

N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155536419) has the molecular formula C25H25FN6S and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155536419
Molecular FormulaC25H25FN6S
Molecular Weight460.58 g/mol
Exact Mass460.18
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1
InChIInChI=1S/C25H25FN6S/c1-15-13-20(14-16(2)29-15)30-25-28-12-9-21(31-25)23-22(17-3-5-19(26)6-4-17)32-24(33-23)18-7-10-27-11-8-18/h3-6,9,12-14,18,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31)
InChIKeyGPDUVAKRPQOLEA-UHFFFAOYSA-N
XLogP5.63
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155536419) is N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is GPDUVAKRPQOLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6S/c1-15-13-20(14-16(2)29-15)30-25-28-12-9-21(31-25)23-22(17-3-5-19(26)6-4-17)32-24(33-23)18-7-10-27-11-8-18/h3-6,9,12-14,18,27H,7-8,10-11H2,1-2H3,(H,28,29,30,31).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 460.58 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155536419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).