2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine

C13H18N6 — CID 80657780

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CCn3ccnc3C2)n1
InChIInChI=1S/C13H18N6/c1-10-7-11(14-2)17-12(16-10)8-18-5-6-19-4-3-15-13(19)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,16,17)
InChIKeyCPGUNKNADMHLON-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.04
Rot. Bonds3

About 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine (PubChem CID 80657780) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine
PubChem CID80657780
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CN2CCn3ccnc3C2)n1
InChIInChI=1S/C13H18N6/c1-10-7-11(14-2)17-12(16-10)8-18-5-6-19-4-3-15-13(19)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,16,17)
InChIKeyCPGUNKNADMHLON-UHFFFAOYSA-N
XLogP1.04
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine (CID 80657780) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CN2CCn3ccnc3C2)n1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine?
The InChIKey is CPGUNKNADMHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-7-11(14-2)17-12(16-10)8-18-5-6-19-4-3-15-13(19)9-18/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80657780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).