6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C11H12N4 — CID 66846626

IUPAC6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1ncc(-c2ccc3n2CCNC3)cn1
InChIInChI=1S/C11H12N4/c1-2-11(9-5-13-8-14-6-9)15-4-3-12-7-10(1)15/h1-2,5-6,8,12H,3-4,7H2
InChIKeyXYWXQQBHEMOXIK-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.05
Rot. Bonds1

About 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 66846626) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID66846626
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1ncc(-c2ccc3n2CCNC3)cn1
InChIInChI=1S/C11H12N4/c1-2-11(9-5-13-8-14-6-9)15-4-3-12-7-10(1)15/h1-2,5-6,8,12H,3-4,7H2
InChIKeyXYWXQQBHEMOXIK-UHFFFAOYSA-N
XLogP1.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 66846626) is 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is c1ncc(-c2ccc3n2CCNC3)cn1.
What is the InChIKey of 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is XYWXQQBHEMOXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-11(9-5-13-8-14-6-9)15-4-3-12-7-10(1)15/h1-2,5-6,8,12H,3-4,7H2.
What are the key properties of 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 200.25 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-5-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 66846626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).