8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione

C24H26N4O2S — CID 160527712

IUPAC8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3sc4c(c23)CCCC4)c(=O)n2c1C(=O)CC21CCCCC1
InChIInChI=1S/C24H26N4O2S/c1-14-11-16(23(30)28-20(14)17(29)12-24(28)9-5-2-6-10-24)27-21-19-15-7-3-4-8-18(15)31-22(19)26-13-25-21/h11,13H,2-10,12H2,1H3,(H,25,26,27)
InChIKeyQVCYTVKRLJCDGS-UHFFFAOYSA-N
MW434.57 g/mol
LogP5.03
Rot. Bonds2

About 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione

8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione (PubChem CID 160527712) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione
PubChem CID160527712
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione
SMILESCc1cc(Nc2ncnc3sc4c(c23)CCCC4)c(=O)n2c1C(=O)CC21CCCCC1
InChIInChI=1S/C24H26N4O2S/c1-14-11-16(23(30)28-20(14)17(29)12-24(28)9-5-2-6-10-24)27-21-19-15-7-3-4-8-18(15)31-22(19)26-13-25-21/h11,13H,2-10,12H2,1H3,(H,25,26,27)
InChIKeyQVCYTVKRLJCDGS-UHFFFAOYSA-N
XLogP5.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione with MolForge

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Related Compounds

ethyl (7S)-4-[(8-methyl-1,5-dioxospiro[2H-indolizine-3,3'-thietane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylate
CID 160563456
N-methyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 153301394
N-(1,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 133422810
6-[[(7S)-7-(azetidine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-chlorospiro[2H-indolizine-3,3'-thietane]-1,5-dione
CID 159359501
N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 21009767
N-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 15994565
N-(1-methylcyclohexyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 58218078
5-methyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)phenol
CID 4842959
N-(2,4,5-trichlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 23794696
6-[[(7S)-7-(azetidine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]-8-methyl-1',1'-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-thietane]-1,5-dione
CID 153301396
N-(5-chloro-2-methylphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 35477819
N,N-dimethyl-4-[(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-thietane]-6-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 153301391

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione (CID 160527712) is 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione is Cc1cc(Nc2ncnc3sc4c(c23)CCCC4)c(=O)n2c1C(=O)CC21CCCCC1.
What is the InChIKey of 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is QVCYTVKRLJCDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-14-11-16(23(30)28-20(14)17(29)12-24(28)9-5-2-6-10-24)27-21-19-15-7-3-4-8-18(15)31-22(19)26-13-25-21/h11,13H,2-10,12H2,1H3,(H,25,26,27).
What are the key properties of 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione?
8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 434.57 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)spiro[2H-indolizine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 160527712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).