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

C36H64N8O4 — CID 16756298

IUPAC4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine
SMILESCCCOCCN(CCOCCC)c1nc(N2CCCCC2)c2nc(N(CCOCCC)CCOCCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C36H64N8O4/c1-5-23-45-27-19-43(20-28-46-24-6-2)35-37-31-32(33(39-35)41-15-11-9-12-16-41)38-36(40-34(31)42-17-13-10-14-18-42)44(21-29-47-25-7-3)22-30-48-26-8-4/h5-30H2,1-4H3
InChIKeyGFSNZZMCMKOMMN-UHFFFAOYSA-N
MW672.96 g/mol
LogP5.72
Rot. Bonds24

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

4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine (PubChem CID 16756298) has the molecular formula C36H64N8O4 and a molecular weight of 672.96 g/mol. Its IUPAC name is 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine
PubChem CID16756298
Molecular FormulaC36H64N8O4
Molecular Weight672.96 g/mol
Exact Mass672.51
IUPAC Name4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine
SMILESCCCOCCN(CCOCCC)c1nc(N2CCCCC2)c2nc(N(CCOCCC)CCOCCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C36H64N8O4/c1-5-23-45-27-19-43(20-28-46-24-6-2)35-37-31-32(33(39-35)41-15-11-9-12-16-41)38-36(40-34(31)42-17-13-10-14-18-42)44(21-29-47-25-7-3)22-30-48-26-8-4/h5-30H2,1-4H3
InChIKeyGFSNZZMCMKOMMN-UHFFFAOYSA-N
XLogP5.72
TPSA101.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500672.96
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)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 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The IUPAC name of 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine (CID 16756298) is 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The canonical SMILES for 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine is CCCOCCN(CCOCCC)c1nc(N2CCCCC2)c2nc(N(CCOCCC)CCOCCC)nc(N3CCCCC3)c2n1.
What is the InChIKey of 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
The InChIKey is GFSNZZMCMKOMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N8O4/c1-5-23-45-27-19-43(20-28-46-24-6-2)35-37-31-32(33(39-35)41-15-11-9-12-16-41)38-36(40-34(31)42-17-13-10-14-18-42)44(21-29-47-25-7-3)22-30-48-26-8-4/h5-30H2,1-4H3.
What are the key properties of 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine?
4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine has a molecular weight of 672.96 g/mol, XLogP of 5.72, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-di(piperidin-1-yl)-2-N,2-N,6-N,6-N-tetrakis(2-propoxyethyl)pyrimido[5,4-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 16756298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).