[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone

C18H22N6O2 — CID 91922274

IUPAC[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C18H22N6O2/c25-10-14-9-24(16-2-6-20-13-22-16)11-18(14)3-7-23(8-4-18)17(26)15-1-5-19-12-21-15/h1-2,5-6,12-14,25H,3-4,7-11H2
InChIKeyIJSNFKCHIWEOMJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.62
Rot. Bonds3

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

[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (PubChem CID 91922274) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
PubChem CID91922274
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C18H22N6O2/c25-10-14-9-24(16-2-6-20-13-22-16)11-18(14)3-7-23(8-4-18)17(26)15-1-5-19-12-21-15/h1-2,5-6,12-14,25H,3-4,7-11H2
InChIKeyIJSNFKCHIWEOMJ-UHFFFAOYSA-N
XLogP0.62
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone (CID 91922274) is [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC2(CC1)CN(c1ccncn1)CC2CO.
What is the InChIKey of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
The InChIKey is IJSNFKCHIWEOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c25-10-14-9-24(16-2-6-20-13-22-16)11-18(14)3-7-23(8-4-18)17(26)15-1-5-19-12-21-15/h1-2,5-6,12-14,25H,3-4,7-11H2.
What are the key properties of [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone?
[4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone has a molecular weight of 354.41 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 91922274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).