2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C18H23N5O2 — CID 72873354

IUPAC2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C18H23N5O2/c1-2-21-13-18(5-4-15(21)24)6-10-22(11-7-18)16(25)14-12-23-9-3-8-19-17(23)20-14/h3,8-9,12H,2,4-7,10-11,13H2,1H3
InChIKeyCYSGFDLKZFWYNH-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.59
Rot. Bonds2

About 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72873354) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72873354
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C18H23N5O2/c1-2-21-13-18(5-4-15(21)24)6-10-22(11-7-18)16(25)14-12-23-9-3-8-19-17(23)20-14/h3,8-9,12H,2,4-7,10-11,13H2,1H3
InChIKeyCYSGFDLKZFWYNH-UHFFFAOYSA-N
XLogP1.59
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72873354) is 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2.
What is the InChIKey of 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CYSGFDLKZFWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-21-13-18(5-4-15(21)24)6-10-22(11-7-18)16(25)14-12-23-9-3-8-19-17(23)20-14/h3,8-9,12H,2,4-7,10-11,13H2,1H3.
What are the key properties of 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 341.41 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72873354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).