6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one

C19H20FN3O4 — CID 110332528

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(F)c(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)c1
InChIInChI=1S/C19H20FN3O4/c1-12-2-3-14(20)13(10-12)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)
InChIKeyNCFUSEMUJUWNOC-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.86
Rot. Bonds2

About 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one

6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one (PubChem CID 110332528) 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-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
PubChem CID110332528
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
SMILESCc1ccc(F)c(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)c1
InChIInChI=1S/C19H20FN3O4/c1-12-2-3-14(20)13(10-12)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)
InChIKeyNCFUSEMUJUWNOC-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

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one (CID 110332528) is 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one is Cc1ccc(F)c(-c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c(=O)n2)c1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one?
The InChIKey is NCFUSEMUJUWNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12-2-3-14(20)13(10-12)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-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one?
6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-(2-fluoro-5-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-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).