2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde

C16H19N3O — CID 136995601

IUPAC2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(C)c(-c2nc3n(c2C=O)CCCN3)cc1C
InChIInChI=1S/C16H19N3O/c1-10-7-12(3)13(8-11(10)2)15-14(9-20)19-6-4-5-17-16(19)18-15/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyJDQHEGWLYAEEKV-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.10
Rot. Bonds2

About 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 136995601) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID136995601
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cc(C)c(-c2nc3n(c2C=O)CCCN3)cc1C
InChIInChI=1S/C16H19N3O/c1-10-7-12(3)13(8-11(10)2)15-14(9-20)19-6-4-5-17-16(19)18-15/h7-9H,4-6H2,1-3H3,(H,17,18)
InChIKeyJDQHEGWLYAEEKV-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde (CID 136995601) is 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde is Cc1cc(C)c(-c2nc3n(c2C=O)CCCN3)cc1C.
What is the InChIKey of 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is JDQHEGWLYAEEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-7-12(3)13(8-11(10)2)15-14(9-20)19-6-4-5-17-16(19)18-15/h7-9H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde?
2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 269.35 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 136995601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).