1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one

C16H24N4O2 — CID 131644207

IUPAC1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C16H24N4O2/c1-3-20-15(21)6-4-7-16(20)8-5-9-19(11-16)13-10-14(22-2)18-12-17-13/h10,12H,3-9,11H2,1-2H3
InChIKeyRNZVKKGFIVCNBK-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.86
Rot. Bonds3

About 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one

1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one (PubChem CID 131644207) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
PubChem CID131644207
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one
SMILESCCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2
InChIInChI=1S/C16H24N4O2/c1-3-20-15(21)6-4-7-16(20)8-5-9-19(11-16)13-10-14(22-2)18-12-17-13/h10,12H,3-9,11H2,1-2H3
InChIKeyRNZVKKGFIVCNBK-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one (CID 131644207) is 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one is CCN1C(=O)CCCC12CCCN(c1cc(OC)ncn1)C2.
What is the InChIKey of 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
The InChIKey is RNZVKKGFIVCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-20-15(21)6-4-7-16(20)8-5-9-19(11-16)13-10-14(22-2)18-12-17-13/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one?
1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(6-methoxypyrimidin-4-yl)-1,8-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 131644207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).