N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine

C12H13N5 — CID 167990632

IUPACN,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(/C=C/c2cccnn2)cn1
InChIInChI=1S/C12H13N5/c1-17(2)12-13-8-10(9-14-12)5-6-11-4-3-7-15-16-11/h3-9H,1-2H3/b6-5+
InChIKeyJGULPCFSGMUETQ-AATRIKPKSA-N
MW227.27 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine

N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine (PubChem CID 167990632) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine
PubChem CID167990632
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC NameN,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine
SMILESCN(C)c1ncc(/C=C/c2cccnn2)cn1
InChIInChI=1S/C12H13N5/c1-17(2)12-13-8-10(9-14-12)5-6-11-4-3-7-15-16-11/h3-9H,1-2H3/b6-5+
InChIKeyJGULPCFSGMUETQ-AATRIKPKSA-N
XLogP1.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine (CID 167990632) is N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine is CN(C)c1ncc(/C=C/c2cccnn2)cn1.
What is the InChIKey of N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine?
The InChIKey is JGULPCFSGMUETQ-AATRIKPKSA-N. The full InChI is InChI=1S/C12H13N5/c1-17(2)12-13-8-10(9-14-12)5-6-11-4-3-7-15-16-11/h3-9H,1-2H3/b6-5+.
What are the key properties of N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine?
N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(E)-2-pyridazin-3-ylethenyl]pyrimidin-2-amine is sourced from PubChem (CID 167990632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).