2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one

C19H20N4O2S — CID 72948577

IUPAC2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1
InChIInChI=1S/C19H20N4O2S/c1-13-11-17(24)23(14(2)21-13)18-12-20-19(26-18)15-3-5-16(6-4-15)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDEXAAIFXLFZGIQ-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.81
Rot. Bonds3

About 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one

2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one (PubChem CID 72948577) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one
PubChem CID72948577
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1
InChIInChI=1S/C19H20N4O2S/c1-13-11-17(24)23(14(2)21-13)18-12-20-19(26-18)15-3-5-16(6-4-15)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDEXAAIFXLFZGIQ-UHFFFAOYSA-N
XLogP2.81
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one (CID 72948577) is 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one is Cc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one?
The InChIKey is DEXAAIFXLFZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13-11-17(24)23(14(2)21-13)18-12-20-19(26-18)15-3-5-16(6-4-15)22-7-9-25-10-8-22/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one?
2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one has a molecular weight of 368.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one is sourced from PubChem (CID 72948577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).