1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C19H18N6 — CID 57490534

IUPAC1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C19H18N6/c1-24(2)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-13-21-18-5-3-4-12-25(17)18/h3-13H,1-2H3,(H,20,22,23)
InChIKeyZHWGZOJHXNXNBH-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.60
Rot. Bonds4

About 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 57490534) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID57490534
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C19H18N6/c1-24(2)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-13-21-18-5-3-4-12-25(17)18/h3-13H,1-2H3,(H,20,22,23)
InChIKeyZHWGZOJHXNXNBH-UHFFFAOYSA-N
XLogP3.60
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 57490534) is 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is ZHWGZOJHXNXNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-24(2)15-8-6-14(7-9-15)22-19-20-11-10-16(23-19)17-13-21-18-5-3-4-12-25(17)18/h3-13H,1-2H3,(H,20,22,23).
What are the key properties of 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 330.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 57490534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).