2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

C20H30N6O2 — CID 11246161

IUPAC2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCCOc1nc(N2CCCCC2)c2nc(OCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C20H30N6O2/c1-3-27-19-21-15-16(17(23-19)25-11-7-5-8-12-25)22-20(28-4-2)24-18(15)26-13-9-6-10-14-26/h3-14H2,1-2H3
InChIKeyXGNSMAQXBPGJEE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.20
Rot. Bonds6

About 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine

2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 11246161) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
PubChem CID11246161
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCCOc1nc(N2CCCCC2)c2nc(OCC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C20H30N6O2/c1-3-27-19-21-15-16(17(23-19)25-11-7-5-8-12-25)22-20(28-4-2)24-18(15)26-13-9-6-10-14-26/h3-14H2,1-2H3
InChIKeyXGNSMAQXBPGJEE-UHFFFAOYSA-N
XLogP3.20
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[[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-[(2-Hydroxyethyl)[2-(propan-2-yloxy)ethyl]amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}[2-(propan-2-yloxy)ethyl]amino)ethan-1-ol
CID 16756299
{2-[(6-{Bis[2-(formyloxy)ethyl]amino}-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl)[2-(formyloxy)ethyl]amino]ethyl} formate
CID 24860459
2-[(6-{Bis[2-(acetyloxy)ethyl]amino}-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl)[2-(acetyloxy)ethyl]amino]ethyl acetate
CID 24860460
Pyrimido(5,4-d)pyrimidine, ethanol deriv.
CID 124165

Frequently Asked Questions

What is the IUPAC name of 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (CID 11246161) is 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is CCOc1nc(N2CCCCC2)c2nc(OCC)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is XGNSMAQXBPGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-3-27-19-21-15-16(17(23-19)25-11-7-5-8-12-25)22-20(28-4-2)24-18(15)26-13-9-6-10-14-26/h3-14H2,1-2H3.
What are the key properties of 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 386.50 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 11246161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).