[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone

C17H20N4O2 — CID 97472714

IUPAC[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
SMILESCCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1
InChIInChI=1S/C17H20N4O2/c1-2-13-7-18-16(19-8-13)21-11-17(12-21)4-5-20(10-17)15(22)14-3-6-23-9-14/h3,6-9H,2,4-5,10-12H2,1H3
InChIKeyRLFYWOKLANOVJI-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.98
Rot. Bonds3

About [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone

[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone (PubChem CID 97472714) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
PubChem CID97472714
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone
SMILESCCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1
InChIInChI=1S/C17H20N4O2/c1-2-13-7-18-16(19-8-13)21-11-17(12-21)4-5-20(10-17)15(22)14-3-6-23-9-14/h3,6-9H,2,4-5,10-12H2,1H3
InChIKeyRLFYWOKLANOVJI-UHFFFAOYSA-N
XLogP1.98
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone (CID 97472714) is [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone is CCc1cnc(N2CC3(CCN(C(=O)c4ccoc4)C3)C2)nc1.
What is the InChIKey of [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
The InChIKey is RLFYWOKLANOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-13-7-18-16(19-8-13)21-11-17(12-21)4-5-20(10-17)15(22)14-3-6-23-9-14/h3,6-9H,2,4-5,10-12H2,1H3.
What are the key properties of [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone?
[2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-7-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97472714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).