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

C19H28N4O2 — CID 91922326

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ncccn1)CC2
InChIInChI=1S/C19H28N4O2/c1-25-13-15-12-23(16-4-2-5-16)14-19(15)6-10-22(11-7-19)18(24)17-20-8-3-9-21-17/h3,8-9,15-16H,2,4-7,10-14H2,1H3
InChIKeyWDHVURKAAPQVBB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.83
Rot. Bonds4

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

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (PubChem CID 91922326) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
PubChem CID91922326
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ncccn1)CC2
InChIInChI=1S/C19H28N4O2/c1-25-13-15-12-23(16-4-2-5-16)14-19(15)6-10-22(11-7-19)18(24)17-20-8-3-9-21-17/h3,8-9,15-16H,2,4-7,10-14H2,1H3
InChIKeyWDHVURKAAPQVBB-UHFFFAOYSA-N
XLogP1.83
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone (CID 91922326) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1ncccn1)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
The InChIKey is WDHVURKAAPQVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-25-13-15-12-23(16-4-2-5-16)14-19(15)6-10-22(11-7-19)18(24)17-20-8-3-9-21-17/h3,8-9,15-16H,2,4-7,10-14H2,1H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone has a molecular weight of 344.46 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 91922326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).