furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

C18H22N4O3 — CID 91921896

IUPACfuran-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C18H22N4O3/c23-10-15-9-22(16-1-5-19-13-20-16)12-18(15)3-6-21(7-4-18)17(24)14-2-8-25-11-14/h1-2,5,8,11,13,15,23H,3-4,6-7,9-10,12H2
InChIKeyYJWVDEFAYGYYMO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.42
Rot. Bonds3

About furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone

furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 91921896) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID91921896
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namefuran-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(c1ccoc1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C18H22N4O3/c23-10-15-9-22(16-1-5-19-13-20-16)12-18(15)3-6-21(7-4-18)17(24)14-2-8-25-11-14/h1-2,5,8,11,13,15,23H,3-4,6-7,9-10,12H2
InChIKeyYJWVDEFAYGYYMO-UHFFFAOYSA-N
XLogP1.42
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 91921896) is furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(c1ccoc1)N1CCC2(CC1)CN(c1ccncn1)CC2CO.
What is the InChIKey of furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is YJWVDEFAYGYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-10-15-9-22(16-1-5-19-13-20-16)12-18(15)3-6-21(7-4-18)17(24)14-2-8-25-11-14/h1-2,5,8,11,13,15,23H,3-4,6-7,9-10,12H2.
What are the key properties of furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone?
furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 91921896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).