4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine

C18H23ClN4OS — CID 164725907

IUPAC4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCC1CC2(CC(c3ccnc(N(C)C)n3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C18H23ClN4OS/c1-11-9-18(16-12(5-7-24-18)8-15(19)25-16)10-14(21-11)13-4-6-20-17(22-13)23(2)3/h4,6,8,11,14,21H,5,7,9-10H2,1-3H3
InChIKeyDAJDJAITMCXZJE-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.54
Rot. Bonds2

About 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine

4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 164725907) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID164725907
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCC1CC2(CC(c3ccnc(N(C)C)n3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C18H23ClN4OS/c1-11-9-18(16-12(5-7-24-18)8-15(19)25-16)10-14(21-11)13-4-6-20-17(22-13)23(2)3/h4,6,8,11,14,21H,5,7,9-10H2,1-3H3
InChIKeyDAJDJAITMCXZJE-UHFFFAOYSA-N
XLogP3.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine (CID 164725907) is 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine is CC1CC2(CC(c3ccnc(N(C)C)n3)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is DAJDJAITMCXZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-11-9-18(16-12(5-7-24-18)8-15(19)25-16)10-14(21-11)13-4-6-20-17(22-13)23(2)3/h4,6,8,11,14,21H,5,7,9-10H2,1-3H3.
What are the key properties of 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine?
4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 378.93 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 164725907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).