1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C21H25N3O — CID 146069323

IUPAC1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1ccc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)cc1
InChIInChI=1S/C21H25N3O/c1-3-7-16(8-4-1)12-24-14-21(15-24)18-11-22-20(23-19(18)13-25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11,17H,2,5-6,9-10,12-15H2
InChIKeyPMQCDLNBIHMMHK-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds3

About 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069323) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069323
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1ccc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)cc1
InChIInChI=1S/C21H25N3O/c1-3-7-16(8-4-1)12-24-14-21(15-24)18-11-22-20(23-19(18)13-25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11,17H,2,5-6,9-10,12-15H2
InChIKeyPMQCDLNBIHMMHK-UHFFFAOYSA-N
XLogP3.77
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069316
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069303
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069310
1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069229
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
CID 146069254
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
7-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931513
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
5-(chloromethyl)-2-cyclohexylpyrimidine
CID 62755900
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069323) is 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is c1ccc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)cc1.
What is the InChIKey of 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is PMQCDLNBIHMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-7-16(8-4-1)12-24-14-21(15-24)18-11-22-20(23-19(18)13-25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11,17H,2,5-6,9-10,12-15H2.
What are the key properties of 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 335.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).