[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol

C19H20N4O7 — CID 54218781

IUPAC[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
SMILESCOc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2CO)n1
InChIInChI=1S/C19H20N4O7/c1-25-14-8-15(26-2)21-18(20-14)29-12-6-5-7-13(11(12)10-24)30-19-22-16(27-3)9-17(23-19)28-4/h5-9,24H,10H2,1-4H3
InChIKeyQBBILWMRJVAGRF-UHFFFAOYSA-N
MW416.39 g/mol
LogP2.38
Rot. Bonds9

About [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol

[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol (PubChem CID 54218781) has the molecular formula C19H20N4O7 and a molecular weight of 416.39 g/mol. Its IUPAC name is [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
PubChem CID54218781
Molecular FormulaC19H20N4O7
Molecular Weight416.39 g/mol
Exact Mass416.13
IUPAC Name[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
SMILESCOc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2CO)n1
InChIInChI=1S/C19H20N4O7/c1-25-14-8-15(26-2)21-18(20-14)29-12-6-5-7-13(11(12)10-24)30-19-22-16(27-3)9-17(23-19)28-4/h5-9,24H,10H2,1-4H3
InChIKeyQBBILWMRJVAGRF-UHFFFAOYSA-N
XLogP2.38
TPSA127.17 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol?
The IUPAC name of [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol (CID 54218781) is [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol.
What is the SMILES notation for [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol?
The canonical SMILES for [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol is COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2CO)n1.
What is the InChIKey of [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol?
The InChIKey is QBBILWMRJVAGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O7/c1-25-14-8-15(26-2)21-18(20-14)29-12-6-5-7-13(11(12)10-24)30-19-22-16(27-3)9-17(23-19)28-4/h5-9,24H,10H2,1-4H3.
What are the key properties of [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol?
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol has a molecular weight of 416.39 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol is sourced from PubChem (CID 54218781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).