2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine

C14H13N3 — CID 70797858

IUPAC2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C)c(-c3ccccc3)n2c1
InChIInChI=1S/C14H13N3/c1-10-8-15-14-16-11(2)13(17(14)9-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyPLDUVNBXFCZNMF-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.01
Rot. Bonds1

About 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine

2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 70797858) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine
PubChem CID70797858
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine
SMILESCc1cnc2nc(C)c(-c3ccccc3)n2c1
InChIInChI=1S/C14H13N3/c1-10-8-15-14-16-11(2)13(17(14)9-10)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyPLDUVNBXFCZNMF-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine (CID 70797858) is 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine is Cc1cnc2nc(C)c(-c3ccccc3)n2c1.
What is the InChIKey of 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is PLDUVNBXFCZNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-8-15-14-16-11(2)13(17(14)9-10)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine?
2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 70797858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).