1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine

C6H11N3 — CID 89120677

IUPAC1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine
SMILESC1=C2NCCN2CNC1
InChIInChI=1S/C6H11N3/c1-2-7-5-9-4-3-8-6(1)9/h1,7-8H,2-5H2
InChIKeyBOBJFXJUOGBDQD-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.71
Rot. Bonds

About 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine

1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine (PubChem CID 89120677) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine
PubChem CID89120677
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine
SMILESC1=C2NCCN2CNC1
InChIInChI=1S/C6H11N3/c1-2-7-5-9-4-3-8-6(1)9/h1,7-8H,2-5H2
InChIKeyBOBJFXJUOGBDQD-UHFFFAOYSA-N
XLogP-0.71
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine?
The IUPAC name of 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine (CID 89120677) is 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine?
The canonical SMILES for 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine is C1=C2NCCN2CNC1.
What is the InChIKey of 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine?
The InChIKey is BOBJFXJUOGBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-7-5-9-4-3-8-6(1)9/h1,7-8H,2-5H2.
What are the key properties of 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine?
1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine has a molecular weight of 125.17 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydroimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 89120677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).