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

C12H16N6O — CID 136878897

IUPACN-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3c(n2)NCCC3)n(C)n1
InChIInChI=1S/C12H16N6O/c1-8-6-10(17(2)16-8)15-11(19)9-7-18-5-3-4-13-12(18)14-9/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyMQEURODLBLWFQF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds2

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

N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 136878897) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID136878897
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cn3c(n2)NCCC3)n(C)n1
InChIInChI=1S/C12H16N6O/c1-8-6-10(17(2)16-8)15-11(19)9-7-18-5-3-4-13-12(18)14-9/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,19)
InChIKeyMQEURODLBLWFQF-UHFFFAOYSA-N
XLogP0.99
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide (CID 136878897) is N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cn3c(n2)NCCC3)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is MQEURODLBLWFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-6-10(17(2)16-8)15-11(19)9-7-18-5-3-4-13-12(18)14-9/h6-7H,3-5H2,1-2H3,(H,13,14)(H,15,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136878897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).