2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C20H26N4O — CID 146069310

IUPAC2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCn1cccc1CN1CC2(C1)OCc1nc(C3CCCCC3)ncc12
InChIInChI=1S/C20H26N4O/c1-23-9-5-8-16(23)11-24-13-20(14-24)17-10-21-19(22-18(17)12-25-20)15-6-3-2-4-7-15/h5,8-10,15H,2-4,6-7,11-14H2,1H3
InChIKeyZWPKGSNSJAGYJL-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds3

About 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069310) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069310
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESCn1cccc1CN1CC2(C1)OCc1nc(C3CCCCC3)ncc12
InChIInChI=1S/C20H26N4O/c1-23-9-5-8-16(23)11-24-13-20(14-24)17-10-21-19(22-18(17)12-25-20)15-6-3-2-4-7-15/h5,8-10,15H,2-4,6-7,11-14H2,1H3
InChIKeyZWPKGSNSJAGYJL-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069310) is 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is Cn1cccc1CN1CC2(C1)OCc1nc(C3CCCCC3)ncc12.
What is the InChIKey of 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is ZWPKGSNSJAGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-9-5-8-16(23)11-24-13-20(14-24)17-10-21-19(22-18(17)12-25-20)15-6-3-2-4-7-15/h5,8-10,15H,2-4,6-7,11-14H2,1H3.
What are the key properties of 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 338.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).