N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C12H12N6O — CID 74232244

IUPACN-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cn2cccnc2n1
InChIInChI=1S/C12H12N6O/c19-11(14-4-2-9-6-13-8-16-9)10-7-18-5-1-3-15-12(18)17-10/h1,3,5-8H,2,4H2,(H,13,16)(H,14,19)
InChIKeyOVXXQTBOFCURKW-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.42
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 74232244) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID74232244
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cn2cccnc2n1
InChIInChI=1S/C12H12N6O/c19-11(14-4-2-9-6-13-8-16-9)10-7-18-5-1-3-15-12(18)17-10/h1,3,5-8H,2,4H2,(H,13,16)(H,14,19)
InChIKeyOVXXQTBOFCURKW-UHFFFAOYSA-N
XLogP0.42
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 74232244) is N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NCCc1cnc[nH]1)c1cn2cccnc2n1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is OVXXQTBOFCURKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c19-11(14-4-2-9-6-13-8-16-9)10-7-18-5-1-3-15-12(18)17-10/h1,3,5-8H,2,4H2,(H,13,16)(H,14,19).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 74232244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).