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

C17H18N4O — CID 146069303

IUPAC2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1cc(CN2CC3(C2)OCc2nc(C4CC4)ncc23)ccn1
InChIInChI=1S/C17H18N4O/c1-2-13(1)16-19-7-14-15(20-16)9-22-17(14)10-21(11-17)8-12-3-5-18-6-4-12/h3-7,13H,1-2,8-11H2
InChIKeyFVOQJRKJBMSDFB-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.99
Rot. Bonds3

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

2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069303) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069303
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1cc(CN2CC3(C2)OCc2nc(C4CC4)ncc23)ccn1
InChIInChI=1S/C17H18N4O/c1-2-13(1)16-19-7-14-15(20-16)9-22-17(14)10-21(11-17)8-12-3-5-18-6-4-12/h3-7,13H,1-2,8-11H2
InChIKeyFVOQJRKJBMSDFB-UHFFFAOYSA-N
XLogP1.99
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069323
2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069316
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069310
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
CID 146069254
2-phenyl-1'-(thiophen-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069229
1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
(8R)-2-(pyridin-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124789845
1'-[(5-methyl-2-pyridinyl)methyl]-2-propylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069438
2,2-ditert-butyl-4-(pyridin-4-ylmethyl)morpholine
CID 138743398
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069303) is 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is c1cc(CN2CC3(C2)OCc2nc(C4CC4)ncc23)ccn1.
What is the InChIKey of 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is FVOQJRKJBMSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-13(1)16-19-7-14-15(20-16)9-22-17(14)10-21(11-17)8-12-3-5-18-6-4-12/h3-7,13H,1-2,8-11H2.
What are the key properties of 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 294.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).