2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one

C19H21N3O3S — CID 135117997

IUPAC2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C19H21N3O3S/c23-17-13(11-20-16(21-17)12-1-2-12)18(24)22-7-5-19(6-8-22)14-4-10-26-15(14)3-9-25-19/h4,10-12H,1-3,5-9H2,(H,20,21,23)
InChIKeyFNAUEULXWBUXSR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.41
Rot. Bonds2

About 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one

2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one (PubChem CID 135117997) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
PubChem CID135117997
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCc1sccc12
InChIInChI=1S/C19H21N3O3S/c23-17-13(11-20-16(21-17)12-1-2-12)18(24)22-7-5-19(6-8-22)14-4-10-26-15(14)3-9-25-19/h4,10-12H,1-3,5-9H2,(H,20,21,23)
InChIKeyFNAUEULXWBUXSR-UHFFFAOYSA-N
XLogP2.41
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrazin-2-one
CID 135117302
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(thiophen-3-yl)methanone
CID 135110778
[1-(pyridine-4-carbonyl)piperidin-4-yl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163315307
1H-pyrazol-4-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135103946
2,3-dihydro-1,4-benzodioxin-5-yl(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methanone
CID 135118300
(5-cyclohexyl-1H-pyrazol-4-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163317492
spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 135088266
tert-butyl spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carboxylate
CID 169138473
2-cyclopropyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 74242568
(4-fluoro-3-methylphenyl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 135099460
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163306291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one (CID 135117997) is 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(C2CC2)[nH]c1=O)N1CCC2(CC1)OCCc1sccc12.
What is the InChIKey of 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is FNAUEULXWBUXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17-13(11-20-16(21-17)12-1-2-12)18(24)22-7-5-19(6-8-22)14-4-10-26-15(14)3-9-25-19/h4,10-12H,1-3,5-9H2,(H,20,21,23).
What are the key properties of 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one?
2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 371.46 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135117997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).