N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

C12H15N5O3 — CID 136745702

IUPACN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cn3c(n2)NCCC3)C1=O
InChIInChI=1S/C12H15N5O3/c1-16-9(18)5-7(11(16)20)14-10(19)8-6-17-4-2-3-13-12(17)15-8/h6-7H,2-5H2,1H3,(H,13,15)(H,14,19)
InChIKeyRMJSSCHRAJGXGZ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.81
Rot. Bonds2

About N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136745702) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136745702
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN1C(=O)CC(NC(=O)c2cn3c(n2)NCCC3)C1=O
InChIInChI=1S/C12H15N5O3/c1-16-9(18)5-7(11(16)20)14-10(19)8-6-17-4-2-3-13-12(17)15-8/h6-7H,2-5H2,1H3,(H,13,15)(H,14,19)
InChIKeyRMJSSCHRAJGXGZ-UHFFFAOYSA-N
XLogP-0.81
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136745702) is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CN1C(=O)CC(NC(=O)c2cn3c(n2)NCCC3)C1=O.
What is the InChIKey of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is RMJSSCHRAJGXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-16-9(18)5-7(11(16)20)14-10(19)8-6-17-4-2-3-13-12(17)15-8/h6-7H,2-5H2,1H3,(H,13,15)(H,14,19).
What are the key properties of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136745702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).