4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine

C18H24N6O — CID 95847079

IUPAC4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
SMILESc1cnc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1
InChIInChI=1S/C18H24N6O/c1-3-15(14-24(8-1)18-19-6-2-7-20-18)13-16-4-5-17(22-21-16)23-9-11-25-12-10-23/h2,4-7,15H,1,3,8-14H2/t15-/m1/s1
InChIKeyNJPBHXNTOMTQOI-OAHLLOKOSA-N
MW340.43 g/mol
LogP1.56
Rot. Bonds4

About 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine

4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine (PubChem CID 95847079) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
PubChem CID95847079
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine
SMILESc1cnc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1
InChIInChI=1S/C18H24N6O/c1-3-15(14-24(8-1)18-19-6-2-7-20-18)13-16-4-5-17(22-21-16)23-9-11-25-12-10-23/h2,4-7,15H,1,3,8-14H2/t15-/m1/s1
InChIKeyNJPBHXNTOMTQOI-OAHLLOKOSA-N
XLogP1.56
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine (CID 95847079) is 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine is c1cnc(N2CCC[C@H](Cc3ccc(N4CCOCC4)nn3)C2)nc1.
What is the InChIKey of 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine?
The InChIKey is NJPBHXNTOMTQOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-15(14-24(8-1)18-19-6-2-7-20-18)13-16-4-5-17(22-21-16)23-9-11-25-12-10-23/h2,4-7,15H,1,3,8-14H2/t15-/m1/s1.
What are the key properties of 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine?
4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine has a molecular weight of 340.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 95847079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).