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

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

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Related Compounds

1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]piperidin-4-ol
CID 95800063
4-(2-methylfuran-3-yl)-N-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrimidin-2-amine
CID 92606419
4-[2-[1-(2-methylpyrazolo[3,4-c]pyridin-7-yl)piperidin-4-yl]ethyl]morpholine
CID 166387413
(3S,4S)-1-(4-cyclopropyl-5-pyrazin-2-ylpyrimidin-2-yl)-3-methylpiperidin-4-ol
CID 95801272
(2R,6S)-4-[5-(2,3-dimethyl-4-pyridinyl)-4-(2-methylfuran-3-yl)pyrimidin-2-yl]-2,6-dimethylmorpholine
CID 142717581
5-[2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-(2-methylfuran-3-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 124912884
(2R,6S)-2,6-dimethyl-4-[4-(2-methylfuran-3-yl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-yl]morpholine;hydrochloride
CID 86702429
1-[4-(furan-2-yl)-5-pyrazin-2-ylpyrimidin-2-yl]-4-(1-methylimidazol-2-yl)azepan-4-ol
CID 110220025
4-[[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methyl]morpholine
CID 126856400
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
4-(2-methylfuran-3-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]-5-pyridin-4-ylpyrimidin-2-amine
CID 92606418

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).