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

C18H24N4OS — CID 169138555

IUPAC5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-14-9-15-16(24-14)3-8-23-18(15)4-6-22(7-5-18)12-13-10-20-17(19)21-11-13/h9-11H,2-8,12H2,1H3,(H2,19,20,21)
InChIKeyDUCHXZBKAVJWRJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds3

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

5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine (PubChem CID 169138555) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine
PubChem CID169138555
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine
SMILESCCc1cc2c(s1)CCOC21CCN(Cc2cnc(N)nc2)CC1
InChIInChI=1S/C18H24N4OS/c1-2-14-9-15-16(24-14)3-8-23-18(15)4-6-22(7-5-18)12-13-10-20-17(19)21-11-13/h9-11H,2-8,12H2,1H3,(H2,19,20,21)
InChIKeyDUCHXZBKAVJWRJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine (CID 169138555) is 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine is CCc1cc2c(s1)CCOC21CCN(Cc2cnc(N)nc2)CC1.
What is the InChIKey of 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine?
The InChIKey is DUCHXZBKAVJWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-14-9-15-16(24-14)3-8-23-18(15)4-6-22(7-5-18)12-13-10-20-17(19)21-11-13/h9-11H,2-8,12H2,1H3,(H2,19,20,21).
What are the key properties of 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine?
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine has a molecular weight of 344.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 169138555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).