[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

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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).