2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol

C26H30N6O4 — CID 11329331

IUPAC2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
SMILESCN(Cc1ccccc1)c1nc(OCCO)nc2c(N(C)Cc3ccccc3)nc(OCCO)nc12
InChIInChI=1S/C26H30N6O4/c1-31(17-19-9-5-3-6-10-19)23-21-22(28-25(29-23)35-15-13-33)24(30-26(27-21)36-16-14-34)32(2)18-20-11-7-4-8-12-20/h3-12,33-34H,13-18H2,1-2H3
InChIKeyFHVKKKHMJONVII-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.43
Rot. Bonds12

About 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol

2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol (PubChem CID 11329331) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol.

Molecular Properties

Compound Name2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
PubChem CID11329331
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol
SMILESCN(Cc1ccccc1)c1nc(OCCO)nc2c(N(C)Cc3ccccc3)nc(OCCO)nc12
InChIInChI=1S/C26H30N6O4/c1-31(17-19-9-5-3-6-10-19)23-21-22(28-25(29-23)35-15-13-33)24(30-26(27-21)36-16-14-34)32(2)18-20-11-7-4-8-12-20/h3-12,33-34H,13-18H2,1-2H3
InChIKeyFHVKKKHMJONVII-UHFFFAOYSA-N
XLogP2.43
TPSA116.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The IUPAC name of 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol (CID 11329331) is 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol.
What is the SMILES notation for 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The canonical SMILES for 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol is CN(Cc1ccccc1)c1nc(OCCO)nc2c(N(C)Cc3ccccc3)nc(OCCO)nc12.
What is the InChIKey of 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
The InChIKey is FHVKKKHMJONVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-31(17-19-9-5-3-6-10-19)23-21-22(28-25(29-23)35-15-13-33)24(30-26(27-21)36-16-14-34)32(2)18-20-11-7-4-8-12-20/h3-12,33-34H,13-18H2,1-2H3.
What are the key properties of 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol?
2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol has a molecular weight of 490.56 g/mol, XLogP of 2.43, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,8-bis[benzyl(methyl)amino]-2-(2-hydroxyethoxy)pyrimido[5,4-d]pyrimidin-6-yl]oxyethanol is sourced from PubChem (CID 11329331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).