[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol

C14H21N3O5 — CID 66701514

IUPAC[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCC(CO)O3)n1
InChIInChI=1S/C14H21N3O5/c1-19-11-7-12(20-2)16-13(15-11)17-5-3-14(4-6-17)21-9-10(8-18)22-14/h7,10,18H,3-6,8-9H2,1-2H3
InChIKeyHNVKASHHNPYVEV-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.20
Rot. Bonds4

About [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol

[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol (PubChem CID 66701514) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol.

Molecular Properties

Compound Name[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
PubChem CID66701514
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
SMILESCOc1cc(OC)nc(N2CCC3(CC2)OCC(CO)O3)n1
InChIInChI=1S/C14H21N3O5/c1-19-11-7-12(20-2)16-13(15-11)17-5-3-14(4-6-17)21-9-10(8-18)22-14/h7,10,18H,3-6,8-9H2,1-2H3
InChIKeyHNVKASHHNPYVEV-UHFFFAOYSA-N
XLogP0.20
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The IUPAC name of [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol (CID 66701514) is [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol.
What is the SMILES notation for [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The canonical SMILES for [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol is COc1cc(OC)nc(N2CCC3(CC2)OCC(CO)O3)n1.
What is the InChIKey of [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
The InChIKey is HNVKASHHNPYVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-19-11-7-12(20-2)16-13(15-11)17-5-3-14(4-6-17)21-9-10(8-18)22-14/h7,10,18H,3-6,8-9H2,1-2H3.
What are the key properties of [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol?
[8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol has a molecular weight of 311.34 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4,6-dimethoxypyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol is sourced from PubChem (CID 66701514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).