[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

C20H27N5O2S — CID 176501264

IUPAC[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1csc(C(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n1
InChIInChI=1S/C20H27N5O2S/c1-13(2)15-12-28-17(22-15)18(26)25-8-6-20(7-9-25)16-14(5-10-27-20)11-21-19(23-16)24(3)4/h11-13H,5-10H2,1-4H3
InChIKeyVEMSDDQRFGSPAJ-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.83
Rot. Bonds3

About [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 176501264) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID176501264
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1csc(C(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n1
InChIInChI=1S/C20H27N5O2S/c1-13(2)15-12-28-17(22-15)18(26)25-8-6-20(7-9-25)16-14(5-10-27-20)11-21-19(23-16)24(3)4/h11-13H,5-10H2,1-4H3
InChIKeyVEMSDDQRFGSPAJ-UHFFFAOYSA-N
XLogP2.83
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]methanone
CID 176502683
3-[2-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 176502050
2-(dimethylamino)-N-(4-methoxy-2-methylphenyl)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carboxamide
CID 176506405
1-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-(2H-indazol-3-yl)ethanone
CID 176506350
1'-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)-N,N-dimethylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-2-amine
CID 176503652
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)butan-1-one
CID 110213856
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501187
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501193
imidazo[1,2-a]pyridin-8-yl-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503061

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 176501264) is [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is CC(C)c1csc(C(=O)N2CCC3(CC2)OCCc2cnc(N(C)C)nc23)n1.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is VEMSDDQRFGSPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-13(2)15-12-28-17(22-15)18(26)25-8-6-20(7-9-25)16-14(5-10-27-20)11-21-19(23-16)24(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 401.54 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 176501264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).