1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C19H25N3OS — CID 135094594

IUPAC1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCc1nc(C)cc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C19H25N3OS/c1-3-4-16-20-14(2)13-17(21-16)22-9-7-19(8-10-22)18-15(5-11-23-19)6-12-24-18/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyCGZWAEDKHIWIPQ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.87
Rot. Bonds3

About 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 135094594) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID135094594
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESCCCc1nc(C)cc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C19H25N3OS/c1-3-4-16-20-14(2)13-17(21-16)22-9-7-19(8-10-22)18-15(5-11-23-19)6-12-24-18/h6,12-13H,3-5,7-11H2,1-2H3
InChIKeyCGZWAEDKHIWIPQ-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

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 135094594) is 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is CCCc1nc(C)cc(N2CCC3(CC2)OCCc2ccsc23)n1.
What is the InChIKey of 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is CGZWAEDKHIWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-4-16-20-14(2)13-17(21-16)22-9-7-19(8-10-22)18-15(5-11-23-19)6-12-24-18/h6,12-13H,3-5,7-11H2,1-2H3.
What are the key properties of 1'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-(6-methyl-2-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'-(6-methyl-2-propylpyrimidin-4-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 135094594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).