8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C16H19N5O2 — CID 70733536

IUPAC8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn4cccnc4n3)CC2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-19-11-16(9-13(19)22)3-7-20(8-4-16)14(23)12-10-21-6-2-5-17-15(21)18-12/h2,5-6,10H,3-4,7-9,11H2,1H3
InChIKeyKTOAXXZKVOQAFB-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.81
Rot. Bonds1

About 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70733536) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70733536
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(C(=O)c3cn4cccnc4n3)CC2)CC1=O
InChIInChI=1S/C16H19N5O2/c1-19-11-16(9-13(19)22)3-7-20(8-4-16)14(23)12-10-21-6-2-5-17-15(21)18-12/h2,5-6,10H,3-4,7-9,11H2,1H3
InChIKeyKTOAXXZKVOQAFB-UHFFFAOYSA-N
XLogP0.81
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 70733536) is 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(C(=O)c3cn4cccnc4n3)CC2)CC1=O.
What is the InChIKey of 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KTOAXXZKVOQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-19-11-16(9-13(19)22)3-7-20(8-4-16)14(23)12-10-21-6-2-5-17-15(21)18-12/h2,5-6,10H,3-4,7-9,11H2,1H3.
What are the key properties of 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70733536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).