(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine

C14H16F2N6 — CID 156830173

IUPAC(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
SMILESC[C@@H](NCc1ccc(N2CC(F)(F)C2)nn1)c1ncccn1
InChIInChI=1S/C14H16F2N6/c1-10(13-17-5-2-6-18-13)19-7-11-3-4-12(21-20-11)22-8-14(15,16)9-22/h2-6,10,19H,7-9H2,1H3/t10-/m1/s1
InChIKeyJXKDUNIWUCRUFI-SNVBAGLBSA-N
MW306.32 g/mol
LogP1.57
Rot. Bonds5

About (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine

(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine (PubChem CID 156830173) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
PubChem CID156830173
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
SMILESC[C@@H](NCc1ccc(N2CC(F)(F)C2)nn1)c1ncccn1
InChIInChI=1S/C14H16F2N6/c1-10(13-17-5-2-6-18-13)19-7-11-3-4-12(21-20-11)22-8-14(15,16)9-22/h2-6,10,19H,7-9H2,1H3/t10-/m1/s1
InChIKeyJXKDUNIWUCRUFI-SNVBAGLBSA-N
XLogP1.57
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine?
The IUPAC name of (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine (CID 156830173) is (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine?
The canonical SMILES for (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine is C[C@@H](NCc1ccc(N2CC(F)(F)C2)nn1)c1ncccn1.
What is the InChIKey of (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine?
The InChIKey is JXKDUNIWUCRUFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16F2N6/c1-10(13-17-5-2-6-18-13)19-7-11-3-4-12(21-20-11)22-8-14(15,16)9-22/h2-6,10,19H,7-9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine?
(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine has a molecular weight of 306.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 156830173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).