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

C13H15N3 — CID 136710462

IUPAC2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NC(c1ccccc1)CC2
InChIInChI=1S/C13H15N3/c1-10-9-16-8-7-12(15-13(16)14-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,14,15)
InChIKeyNWRFNHIZLBRHSU-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.75
Rot. Bonds1

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

2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710462) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710462
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1cn2c(n1)NC(c1ccccc1)CC2
InChIInChI=1S/C13H15N3/c1-10-9-16-8-7-12(15-13(16)14-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,14,15)
InChIKeyNWRFNHIZLBRHSU-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710462) is 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1cn2c(n1)NC(c1ccccc1)CC2.
What is the InChIKey of 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is NWRFNHIZLBRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10-9-16-8-7-12(15-13(16)14-10)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).