2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol

C20H30N6O4 — CID 11350617

IUPAC2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
SMILESOCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1
InChIInChI=1S/C20H30N6O4/c27-11-13-29-19-22-16-15(17(23-19)25-7-3-1-4-8-25)21-20(30-14-12-28)24-18(16)26-9-5-2-6-10-26/h27-28H,1-14H2
InChIKeyVYDUYPDIFUSMDX-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.14
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol

2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol (PubChem CID 11350617) has the molecular formula C20H30N6O4 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
PubChem CID11350617
Molecular FormulaC20H30N6O4
Molecular Weight418.50 g/mol
Exact Mass418.23
IUPAC Name2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
SMILESOCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1
InChIInChI=1S/C20H30N6O4/c27-11-13-29-19-22-16-15(17(23-19)25-7-3-1-4-8-25)21-20(30-14-12-28)24-18(16)26-9-5-2-6-10-26/h27-28H,1-14H2
InChIKeyVYDUYPDIFUSMDX-UHFFFAOYSA-N
XLogP1.14
TPSA116.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol (CID 11350617) is 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol is OCCOc1nc(N2CCCCC2)c2nc(OCCO)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The InChIKey is VYDUYPDIFUSMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O4/c27-11-13-29-19-22-16-15(17(23-19)25-7-3-1-4-8-25)21-20(30-14-12-28)24-18(16)26-9-5-2-6-10-26/h27-28H,1-14H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol has a molecular weight of 418.50 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol is sourced from PubChem (CID 11350617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).