6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one

C19H20FN3O4 — CID 110332488

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C19H20FN3O4/c1-12-10-13(2-3-14(12)20)15-11-16(22-18(25)21-15)17(24)23-6-4-19(5-7-23)26-8-9-27-19/h2-3,10-11H,4-9H2,1H3,(H,21,22,25)
InChIKeySDQRQCDNKBXOQZ-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.86
Rot. Bonds2

About 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one (PubChem CID 110332488) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one
PubChem CID110332488
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)ccc1F
InChIInChI=1S/C19H20FN3O4/c1-12-10-13(2-3-14(12)20)15-11-16(22-18(25)21-15)17(24)23-6-4-19(5-7-23)26-8-9-27-19/h2-3,10-11H,4-9H2,1H3,(H,21,22,25)
InChIKeySDQRQCDNKBXOQZ-UHFFFAOYSA-N
XLogP1.86
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxa-8-azaspiro[4.5]dec-8-YL[5-(4-fluorophenyl)-2-methyl-1,1-dioxido-2H-1,2,6-thiadiazin-3-YL]methanone
CID 22515226
4-(4-fluorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332215
4-(4-fluorophenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332217
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 110332248
ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate
CID 110332249
ethyl 4-[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332250
4-(4-fluorophenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332260
4-(4-fluoro-3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332466
4-(4-fluoro-3-methylphenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332467
4-(4-fluoro-3-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332468
4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332470
4-(4-fluoro-3-methylphenyl)-6-(morpholine-4-carbonyl)-1H-pyrimidin-2-one
CID 110332471

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one (CID 110332488) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one is Cc1cc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)ccc1F.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one?
The InChIKey is SDQRQCDNKBXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12-10-13(2-3-14(12)20)15-11-16(22-18(25)21-15)17(24)23-6-4-19(5-7-23)26-8-9-27-19/h2-3,10-11H,4-9H2,1H3,(H,21,22,25).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(4-fluoro-3-methylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).