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

C12H19N5O — CID 136879092

IUPACN-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C12H19N5O/c1-16-6-3-9(7-16)14-11(18)10-8-17-5-2-4-13-12(17)15-10/h8-9H,2-7H2,1H3,(H,13,15)(H,14,18)
InChIKeyLEPJFGQJBRUCFX-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.13
Rot. Bonds2

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

N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136879092) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136879092
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCN1CCC(NC(=O)c2cn3c(n2)NCCC3)C1
InChIInChI=1S/C12H19N5O/c1-16-6-3-9(7-16)14-11(18)10-8-17-5-2-4-13-12(17)15-10/h8-9H,2-7H2,1H3,(H,13,15)(H,14,18)
InChIKeyLEPJFGQJBRUCFX-UHFFFAOYSA-N
XLogP0.13
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxycyclohexyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878687
N-(1-oxothian-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879236
N-(3,3-dimethylcyclopentyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879232
N-(1-azabicyclo[2.2.2]octan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136745665
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136745702
(2,4-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879067
N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878676
N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136878897
N-(4-methyloxan-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136879212
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-2-yl)methanone
CID 136879160
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(2-methoxy-2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
CID 136994527

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136879092) is N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CN1CCC(NC(=O)c2cn3c(n2)NCCC3)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is LEPJFGQJBRUCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-6-3-9(7-16)14-11(18)10-8-17-5-2-4-13-12(17)15-10/h8-9H,2-7H2,1H3,(H,13,15)(H,14,18).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136879092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).