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

C19H25N5O3 — CID 72866266

IUPAC9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C19H25N5O3/c1-27-12-11-24-14-19(4-3-16(24)25)5-9-22(10-6-19)17(26)15-13-23-8-2-7-20-18(23)21-15/h2,7-8,13H,3-6,9-12,14H2,1H3
InChIKeySVFAKNSOSCDJHZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.22
Rot. Bonds4

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

9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72866266) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72866266
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2
InChIInChI=1S/C19H25N5O3/c1-27-12-11-24-14-19(4-3-16(24)25)5-9-22(10-6-19)17(26)15-13-23-8-2-7-20-18(23)21-15/h2,7-8,13H,3-6,9-12,14H2,1H3
InChIKeySVFAKNSOSCDJHZ-UHFFFAOYSA-N
XLogP1.22
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72866266) is 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1cn3cccnc3n1)CC2.
What is the InChIKey of 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SVFAKNSOSCDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-12-11-24-14-19(4-3-16(24)25)5-9-22(10-6-19)17(26)15-13-23-8-2-7-20-18(23)21-15/h2,7-8,13H,3-6,9-12,14H2,1H3.
What are the key properties of 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(imidazo[1,2-a]pyrimidine-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72866266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).