2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine

C32H56N8O4 — CID 13066250

IUPAC2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
SMILESCCOCCN(CCOCC)c1nc(N2CCCCC2)c2nc(N(CCOCC)CCOCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C32H56N8O4/c1-5-41-23-19-39(20-24-42-6-2)31-33-27-28(29(35-31)37-15-11-9-12-16-37)34-32(36-30(27)38-17-13-10-14-18-38)40(21-25-43-7-3)22-26-44-8-4/h5-26H2,1-4H3
InChIKeyAOBJTQWTURSZHV-UHFFFAOYSA-N
MW616.85 g/mol
LogP4.16
Rot. Bonds20

About 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine

2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine (PubChem CID 13066250) has the molecular formula C32H56N8O4 and a molecular weight of 616.85 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
PubChem CID13066250
Molecular FormulaC32H56N8O4
Molecular Weight616.85 g/mol
Exact Mass616.44
IUPAC Name2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
SMILESCCOCCN(CCOCC)c1nc(N2CCCCC2)c2nc(N(CCOCC)CCOCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C32H56N8O4/c1-5-41-23-19-39(20-24-42-6-2)31-33-27-28(29(35-31)37-15-11-9-12-16-37)34-32(36-30(27)38-17-13-10-14-18-38)40(21-25-43-7-3)22-26-44-8-4/h5-26H2,1-4H3
InChIKeyAOBJTQWTURSZHV-UHFFFAOYSA-N
XLogP4.16
TPSA101.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.85
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine with MolForge

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Related Compounds

Dipyridamole
CID 3108
2,6-Dichloro-4,8-di(piperidin-1-yl)pyrimido(5,4-d)pyrimidine
CID 81556
2-{[4,8-Bis(azepan-1-yl)-6-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl](2-hydroxyethyl)amino}ethan-1-ol
CID 16756414
2-{[4,8-Bis(azonan-1-yl)-6-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl](2-hydroxyethyl)amino}ethan-1-ol
CID 16757077
2-[[2-[Bis(2-hydroxyethyl)amino]-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
CID 350854
2-N,2-N,6-N,6-N-tetrakis(2-methoxyethyl)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazine-2,6-diamine
CID 9850791
2-{[6-(2-Hydroxyethoxy)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl]oxy}ethan-1-ol
CID 11350617
2-[[2-[Bis(2-hydroxyethyl)amino]-4,8-bis(diethylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
CID 350886
2-[[2-[Bis(2-hydroxyethyl)amino]-4,8-bis(dimethylamino)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
CID 350887
2-({6-[(2-Hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}amino)ethan-1-ol
CID 12298620
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(tert-butylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16755880
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(pentylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16755882

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine (CID 13066250) is 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine is CCOCCN(CCOCC)c1nc(N2CCCCC2)c2nc(N(CCOCC)CCOCC)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The InChIKey is AOBJTQWTURSZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N8O4/c1-5-41-23-19-39(20-24-42-6-2)31-33-27-28(29(35-31)37-15-11-9-12-16-37)34-32(36-30(27)38-17-13-10-14-18-38)40(21-25-43-7-3)22-26-44-8-4/h5-26H2,1-4H3.
What are the key properties of 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine has a molecular weight of 616.85 g/mol, XLogP of 4.16, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetrakis(2-ethoxyethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 13066250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).