4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C21H24N8O — CID 122282658

IUPAC4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nn2)ccn1
InChIInChI=1S/C21H24N8O/c1-2-19(26-25-18(1)17-3-5-22-6-4-17)27-7-9-28(10-8-27)20-15-21(24-16-23-20)29-11-13-30-14-12-29/h1-6,15-16H,7-14H2
InChIKeyRNVIRWRVCKTTBA-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.49
Rot. Bonds4

About 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 122282658) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID122282658
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(-c2ccc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nn2)ccn1
InChIInChI=1S/C21H24N8O/c1-2-19(26-25-18(1)17-3-5-22-6-4-17)27-7-9-28(10-8-27)20-15-21(24-16-23-20)29-11-13-30-14-12-29/h1-6,15-16H,7-14H2
InChIKeyRNVIRWRVCKTTBA-UHFFFAOYSA-N
XLogP1.49
TPSA83.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 122282658) is 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1cc(-c2ccc(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)nn2)ccn1.
What is the InChIKey of 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RNVIRWRVCKTTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-2-19(26-25-18(1)17-3-5-22-6-4-17)27-7-9-28(10-8-27)20-15-21(24-16-23-20)29-11-13-30-14-12-29/h1-6,15-16H,7-14H2.
What are the key properties of 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 404.48 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 122282658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).