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

C13H22N4O — CID 136879113

IUPACN-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H22N4O/c1-5-13(2,3)16(4)11(18)10-9-17-8-6-7-14-12(17)15-10/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyGDIKKVQPUQMNEI-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.96
Rot. Bonds3

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

N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136879113) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136879113
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCCC(C)(C)N(C)C(=O)c1cn2c(n1)NCCC2
InChIInChI=1S/C13H22N4O/c1-5-13(2,3)16(4)11(18)10-9-17-8-6-7-14-12(17)15-10/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyGDIKKVQPUQMNEI-UHFFFAOYSA-N
XLogP1.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136879113) is N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is CCC(C)(C)N(C)C(=O)c1cn2c(n1)NCCC2.
What is the InChIKey of N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GDIKKVQPUQMNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-13(2,3)16(4)11(18)10-9-17-8-6-7-14-12(17)15-10/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136879113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).