5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C9H13N3 — CID 136839837

IUPAC5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1cn2c(n1)NCCC2C1CC1
InChIInChI=1S/C9H13N3/c1-2-7(1)8-3-4-10-9-11-5-6-12(8)9/h5-8H,1-4H2,(H,10,11)
InChIKeyPLKFBXRPULIUFP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.65
Rot. Bonds1

About 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136839837) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136839837
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESc1cn2c(n1)NCCC2C1CC1
InChIInChI=1S/C9H13N3/c1-2-7(1)8-3-4-10-9-11-5-6-12(8)9/h5-8H,1-4H2,(H,10,11)
InChIKeyPLKFBXRPULIUFP-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136839837) is 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is c1cn2c(n1)NCCC2C1CC1.
What is the InChIKey of 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is PLKFBXRPULIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7(1)8-3-4-10-9-11-5-6-12(8)9/h5-8H,1-4H2,(H,10,11).
What are the key properties of 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136839837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).