[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

C20H26N4O2S — CID 135088326

IUPAC[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)nc(N)n1
InChIInChI=1S/C20H26N4O2S/c1-13(2)11-15-12-16(23-19(21)22-15)18(25)24-7-5-20(6-8-24)17-14(3-9-26-20)4-10-27-17/h4,10,12-13H,3,5-9,11H2,1-2H3,(H2,21,22,23)
InChIKeyLGVYGELIALKQIR-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.02
Rot. Bonds3

About [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (PubChem CID 135088326) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
PubChem CID135088326
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)nc(N)n1
InChIInChI=1S/C20H26N4O2S/c1-13(2)11-15-12-16(23-19(21)22-15)18(25)24-7-5-20(6-8-24)17-14(3-9-26-20)4-10-27-17/h4,10,12-13H,3,5-9,11H2,1-2H3,(H2,21,22,23)
InChIKeyLGVYGELIALKQIR-UHFFFAOYSA-N
XLogP3.02
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135110690
[4-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 131914788
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163310197
(5-propyl-1H-pyrazol-3-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135102517
(2,4-dimethyl-1,3-thiazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135095839
(4-methyl-1,3-oxazol-5-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163304672
4-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163309965
6-ethyl-1,5-dimethyl-3-(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 163304951
cyclopropyl(spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methanone
CID 127770868
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 70780034
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163305731
(2,3-difluorophenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 135101219

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The IUPAC name of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone (CID 135088326) is [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is CC(C)Cc1cc(C(=O)N2CCC3(CC2)OCCc2ccsc23)nc(N)n1.
What is the InChIKey of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
The InChIKey is LGVYGELIALKQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13(2)11-15-12-16(23-19(21)22-15)18(25)24-7-5-20(6-8-24)17-14(3-9-26-20)4-10-27-17/h4,10,12-13H,3,5-9,11H2,1-2H3,(H2,21,22,23).
What are the key properties of [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone?
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone has a molecular weight of 386.52 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 135088326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).