[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol

C23H26N4O4 — CID 45487715

IUPAC[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1
InChIInChI=1S/C23H26N4O4/c28-16-17-2-1-3-18(14-17)20-4-5-21(31-20)19-15-22(26-6-10-29-11-7-26)25-23(24-19)27-8-12-30-13-9-27/h1-5,14-15,28H,6-13,16H2
InChIKeyBXRMHHSERKBUGT-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.57
Rot. Bonds5

About [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol

[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol (PubChem CID 45487715) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol
PubChem CID45487715
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1
InChIInChI=1S/C23H26N4O4/c28-16-17-2-1-3-18(14-17)20-4-5-21(31-20)19-15-22(26-6-10-29-11-7-26)25-23(24-19)27-8-12-30-13-9-27/h1-5,14-15,28H,6-13,16H2
InChIKeyBXRMHHSERKBUGT-UHFFFAOYSA-N
XLogP2.57
TPSA84.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol with MolForge

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Related Compounds

4-(1-Benzofuran-2-yl)-6-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 10498735
2-(4-Methylpiperazin-1-yl)-4-(2-furanyl)-6-(3-furanyl)pyrimidine
CID 10448104
4-[2-Morpholin-4-yl-6-(5-pyridin-4-ylfuran-2-yl)pyrimidin-4-yl]morpholine
CID 45487716
4-[[[4-(Furan-2-yl)-6-phenylpyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 118724771
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
CID 127036693
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 127036694
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 127036695
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-piperidin-1-ylmethanone
CID 127036696
[3-[2-Amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 127036697
4-(5-(2,6-Dimorpholinopyrimidin-4-yl)furan-2-yl)-2,6-dimethoxyphenol
CID 135911704
4-(5-(2,6-Dimorpholinopyrimidin-4-yl)furan-2-yl)phenol
CID 136180791
2-(4-Benzyl-piperazin-1-yl)-4-furan-2-yl-6-trifluoromethyl-pyrimidine
CID 9551810

Frequently Asked Questions

What is the IUPAC name of [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol?
The IUPAC name of [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol (CID 45487715) is [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol is OCc1cccc(-c2ccc(-c3cc(N4CCOCC4)nc(N4CCOCC4)n3)o2)c1.
What is the InChIKey of [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol?
The InChIKey is BXRMHHSERKBUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-16-17-2-1-3-18(14-17)20-4-5-21(31-20)19-15-22(26-6-10-29-11-7-26)25-23(24-19)27-8-12-30-13-9-27/h1-5,14-15,28H,6-13,16H2.
What are the key properties of [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol?
[3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol has a molecular weight of 422.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)furan-2-yl]phenyl]methanol is sourced from PubChem (CID 45487715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).