1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H25N3OS — CID 135109088

IUPAC1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H25N3OS/c1-3-4-16-13-20-14(2)21-18(16)22-9-7-19(8-10-22)17-15(5-11-23-19)6-12-24-17/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyIGLFJYQZGIYREX-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.87
Rot. Bonds3

About 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 135109088) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID135109088
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCc1cnc(C)nc1N1CCC2(CC1)OCCc1ccsc12
InChIInChI=1S/C19H25N3OS/c1-3-4-16-13-20-14(2)21-18(16)22-9-7-19(8-10-22)17-15(5-11-23-19)6-12-24-17/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyIGLFJYQZGIYREX-UHFFFAOYSA-N
XLogP3.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Related Compounds

2-Methyl-5-[[4-methyl-5-(phenylmethoxymethyl)thiophen-3-yl]methyl]pyrimidin-4-amine
CID 145980821
1'-[[2,5-Dimethyl-1-(2-pyridyl)pyrrol-3-yl]methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 145980714
1'-[1-[2-(Trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carbaldehyde
CID 126701727
[5-Methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-yl]methanol
CID 146214025
2-Methyl-1'-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 156233115
2-(2,2-Difluoroethyl)-1'-(pyrimidin-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138707
3-[[5-[(2-Ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-yl]amino]-1,1,1-trifluoropropan-2-ol
CID 169139913
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methyl-1'-(pyrimidin-5-ylmethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140177
(2'S,7R)-2-(2,2-difluoroethyl)-1'-[(2,4-dimethoxypyrimidin-5-yl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140613
2-(7,7'-Spirobi[4,5-dihydrothieno[2,3-c]pyran]-2'-yl)pyrimidine
CID 134843513
4-[4-[(4-Fluorophenyl)methoxy]piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 133422229
1-[5-Fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-6',7'-dihydrospiro[piperidine-4,4'-thieno[3,2-c]pyran]
CID 135095179

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 135109088) is 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCCc1cnc(C)nc1N1CCC2(CC1)OCCc1ccsc12.
What is the InChIKey of 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is IGLFJYQZGIYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-4-16-13-20-14(2)21-18(16)22-9-7-19(8-10-22)17-15(5-11-23-19)6-12-24-17/h6,12-13H,3-5,7-11H2,1-2H3.
What are the key properties of 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 343.50 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methyl-5-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 135109088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).