4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

C25H26FN7OS — CID 89410368

IUPAC4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccc(F)c(N)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
InChIInChI=1S/C25H26FN7OS/c1-15(2)24-32-22(16-3-5-18(26)19(27)13-16)23(35-24)20-7-8-28-25(31-20)30-17-4-6-21(29-14-17)33-9-11-34-12-10-33/h3-8,13-15H,9-12,27H2,1-2H3,(H,28,30,31)
InChIKeyLACXPUAYANHXTL-UHFFFAOYSA-N
MW491.60 g/mol
LogP5.09
Rot. Bonds6

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

4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 89410368) has the molecular formula C25H26FN7OS and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID89410368
Molecular FormulaC25H26FN7OS
Molecular Weight491.60 g/mol
Exact Mass491.19
IUPAC Name4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCC(C)c1nc(-c2ccc(F)c(N)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1
InChIInChI=1S/C25H26FN7OS/c1-15(2)24-32-22(16-3-5-18(26)19(27)13-16)23(35-24)20-7-8-28-25(31-20)30-17-4-6-21(29-14-17)33-9-11-34-12-10-33/h3-8,13-15H,9-12,27H2,1-2H3,(H,28,30,31)
InChIKeyLACXPUAYANHXTL-UHFFFAOYSA-N
XLogP5.09
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.60
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 89410368) is 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is CC(C)c1nc(-c2ccc(F)c(N)c2)c(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)s1.
What is the InChIKey of 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is LACXPUAYANHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7OS/c1-15(2)24-32-22(16-3-5-18(26)19(27)13-16)23(35-24)20-7-8-28-25(31-20)30-17-4-6-21(29-14-17)33-9-11-34-12-10-33/h3-8,13-15H,9-12,27H2,1-2H3,(H,28,30,31).
What are the key properties of 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 491.60 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 89410368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).