2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C19H17N3OS — CID 146069229

IUPAC2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1ccc(-c2ncc3c(n2)COC32CN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C19H17N3OS/c1-2-4-15(5-3-1)18-20-8-16-17(21-18)10-23-19(16)12-22(13-19)9-14-6-7-24-11-14/h1-8,11H,9-10,12-13H2
InChIKeyVWWYBAQWCOIATJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.45
Rot. Bonds3

About 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069229) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069229
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1ccc(-c2ncc3c(n2)COC32CN(Cc3ccsc3)C2)cc1
InChIInChI=1S/C19H17N3OS/c1-2-4-15(5-3-1)18-20-8-16-17(21-18)10-23-19(16)12-22(13-19)9-14-6-7-24-11-14/h1-8,11H,9-10,12-13H2
InChIKeyVWWYBAQWCOIATJ-UHFFFAOYSA-N
XLogP3.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] with MolForge

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Related Compounds

(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-pyrazin-2-ylmethanone
CID 146069218
(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
CID 146069383
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069303
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069438
3-thiophen-3-yl-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine]
CID 131672594
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2-phenyl-6-[(4-phenylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913489
3-(3-fluorophenyl)-1'-(thiophen-3-ylmethyl)spiro[5,8-dihydroimidazo[2,1-c][1,4]oxazine-6,3'-pyrrolidine];2,2,2-trifluoroacetic acid
CID 155843378
6-[(5-fluoro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917163
3-chloro-5-phenyl-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 63385746
7-ethyl-3-phenyl-1'-(thiophen-3-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361055

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069229) is 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is c1ccc(-c2ncc3c(n2)COC32CN(Cc3ccsc3)C2)cc1.
What is the InChIKey of 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is VWWYBAQWCOIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-2-4-15(5-3-1)18-20-8-16-17(21-18)10-23-19(16)12-22(13-19)9-14-6-7-24-11-14/h1-8,11H,9-10,12-13H2.
What are the key properties of 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 335.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).