4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine

C24H30N6O2 — CID 46953474

IUPAC4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCc1occc1-c1nc(N2CCC(CCN3CCOCC3)CC2)ncc1-c1cnccn1
InChIInChI=1S/C24H30N6O2/c1-18-20(5-13-32-18)23-21(22-17-25-6-7-26-22)16-27-24(28-23)30-9-3-19(4-10-30)2-8-29-11-14-31-15-12-29/h5-7,13,16-17,19H,2-4,8-12,14-15H2,1H3
InChIKeyYWKLUSGVITVSGS-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.44
Rot. Bonds6

About 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine

4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine (PubChem CID 46953474) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
PubChem CID46953474
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine
SMILESCc1occc1-c1nc(N2CCC(CCN3CCOCC3)CC2)ncc1-c1cnccn1
InChIInChI=1S/C24H30N6O2/c1-18-20(5-13-32-18)23-21(22-17-25-6-7-26-22)16-27-24(28-23)30-9-3-19(4-10-30)2-8-29-11-14-31-15-12-29/h5-7,13,16-17,19H,2-4,8-12,14-15H2,1H3
InChIKeyYWKLUSGVITVSGS-UHFFFAOYSA-N
XLogP3.44
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine (CID 46953474) is 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine is Cc1occc1-c1nc(N2CCC(CCN3CCOCC3)CC2)ncc1-c1cnccn1.
What is the InChIKey of 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is YWKLUSGVITVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18-20(5-13-32-18)23-21(22-17-25-6-7-26-22)16-27-24(28-23)30-9-3-19(4-10-30)2-8-29-11-14-31-15-12-29/h5-7,13,16-17,19H,2-4,8-12,14-15H2,1H3.
What are the key properties of 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine?
4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 434.54 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-[4-(2-methylfuran-3-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 46953474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).