5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline

C23H25N7O2 — CID 157034934

IUPAC5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline
SMILESO=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.[H]/N=C/c1ccccc1NC(C)C
InChIInChI=1S/C13H11N5O2.C10H14N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-8(2)12-10-6-4-3-5-9(10)7-11/h3-7H,1-2H2,(H2,15,16,19,20);3-8,11-12H,1-2H3/b;11-7+
InChIKeyHVOAATHLZKKKEJ-HXMQEFCASA-N
MW431.50 g/mol
LogP3.15
Rot. Bonds5

About 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline

5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline (PubChem CID 157034934) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline
PubChem CID157034934
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline
SMILESO=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.[H]/N=C/c1ccccc1NC(C)C
InChIInChI=1S/C13H11N5O2.C10H14N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-8(2)12-10-6-4-3-5-9(10)7-11/h3-7H,1-2H2,(H2,15,16,19,20);3-8,11-12H,1-2H3/b;11-7+
InChIKeyHVOAATHLZKKKEJ-HXMQEFCASA-N
XLogP3.15
TPSA131.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline?
The IUPAC name of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline (CID 157034934) is 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline.
What is the SMILES notation for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline?
The canonical SMILES for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline is O=c1[nH]cc(-c2cc(C3CC3)c3nccn3n2)c(=O)[nH]1.[H]/N=C/c1ccccc1NC(C)C.
What is the InChIKey of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline?
The InChIKey is HVOAATHLZKKKEJ-HXMQEFCASA-N. The full InChI is InChI=1S/C13H11N5O2.C10H14N2/c19-12-9(6-15-13(20)16-12)10-5-8(7-1-2-7)11-14-3-4-18(11)17-10;1-8(2)12-10-6-4-3-5-9(10)7-11/h3-7H,1-2H2,(H2,15,16,19,20);3-8,11-12H,1-2H3/b;11-7+.
What are the key properties of 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline?
5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline has a molecular weight of 431.50 g/mol, XLogP of 3.15, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyclopropylimidazo[1,2-b]pyridazin-6-yl)-1H-pyrimidine-2,4-dione;2-methanimidoyl-N-propan-2-ylaniline is sourced from PubChem (CID 157034934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).