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

C18H26N6O2 — CID 11245295

IUPAC2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCOc1nc(N2CCCCC2)c2nc(OC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C18H26N6O2/c1-25-17-19-13-14(15(21-17)23-9-5-3-6-10-23)20-18(26-2)22-16(13)24-11-7-4-8-12-24/h3-12H2,1-2H3
InChIKeyXFFJZOCYGNJSDA-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.42
Rot. Bonds4

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

2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (PubChem CID 11245295) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.

Molecular Properties

Compound Name2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
PubChem CID11245295
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SMILESCOc1nc(N2CCCCC2)c2nc(OC)nc(N3CCCCC3)c2n1
InChIInChI=1S/C18H26N6O2/c1-25-17-19-13-14(15(21-17)23-9-5-3-6-10-23)20-18(26-2)22-16(13)24-11-7-4-8-12-24/h3-12H2,1-2H3
InChIKeyXFFJZOCYGNJSDA-UHFFFAOYSA-N
XLogP2.42
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.42
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-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The IUPAC name of 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine (CID 11245295) is 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine.
What is the SMILES notation for 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The canonical SMILES for 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is COc1nc(N2CCCCC2)c2nc(OC)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
The InChIKey is XFFJZOCYGNJSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-25-17-19-13-14(15(21-17)23-9-5-3-6-10-23)20-18(26-2)22-16(13)24-11-7-4-8-12-24/h3-12H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine?
2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine has a molecular weight of 358.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine is sourced from PubChem (CID 11245295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).