[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone

C18H24N6O2 — CID 91921964

IUPAC[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C18H24N6O2/c1-22-10-7-19-15(22)16(26)23-8-3-18(4-9-23)13-24(11-14(18)12-25)17-20-5-2-6-21-17/h2,5-7,10,14,25H,3-4,8-9,11-13H2,1H3
InChIKeyNYCVVDNZIPOAMU-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.56
Rot. Bonds3

About [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone

[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 91921964) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID91921964
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO
InChIInChI=1S/C18H24N6O2/c1-22-10-7-19-15(22)16(26)23-8-3-18(4-9-23)13-24(11-14(18)12-25)17-20-5-2-6-21-17/h2,5-7,10,14,25H,3-4,8-9,11-13H2,1H3
InChIKeyNYCVVDNZIPOAMU-UHFFFAOYSA-N
XLogP0.56
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.56
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-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone (CID 91921964) is [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCC2(CC1)CN(c1ncccn1)CC2CO.
What is the InChIKey of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is NYCVVDNZIPOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-22-10-7-19-15(22)16(26)23-8-3-18(4-9-23)13-24(11-14(18)12-25)17-20-5-2-6-21-17/h2,5-7,10,14,25H,3-4,8-9,11-13H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone?
[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 0.56, 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-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 91921964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).