2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide

C11H11N5O — CID 53492857

IUPAC2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnnc2)c(C)n1
InChIInChI=1S/C11H11N5O/c1-7-10(6-12-8(2)15-7)11(17)16-9-3-4-13-14-5-9/h3-6H,1-2H3,(H,13,16,17)
InChIKeyVDCXBEKTQWEONY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.14
Rot. Bonds2

About 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide

2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide (PubChem CID 53492857) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
PubChem CID53492857
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccnnc2)c(C)n1
InChIInChI=1S/C11H11N5O/c1-7-10(6-12-8(2)15-7)11(17)16-9-3-4-13-14-5-9/h3-6H,1-2H3,(H,13,16,17)
InChIKeyVDCXBEKTQWEONY-UHFFFAOYSA-N
XLogP1.14
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide (CID 53492857) is 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccnnc2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
The InChIKey is VDCXBEKTQWEONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-7-10(6-12-8(2)15-7)11(17)16-9-3-4-13-14-5-9/h3-6H,1-2H3,(H,13,16,17).
What are the key properties of 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide?
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53492857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).