2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C18H28N8O4 — CID 16756975

IUPAC2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H28N8O4/c27-7-1-19-17-21-13-14(15(23-17)25-3-9-29-10-4-25)22-18(20-2-8-28)24-16(13)26-5-11-30-12-6-26/h27-28H,1-12H2,(H,19,21,23)(H,20,22,24)
InChIKeyLOLWOFFZNLGXFZ-UHFFFAOYSA-N
MW420.47 g/mol
LogP-1.10
Rot. Bonds8

About 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 16756975) has the molecular formula C18H28N8O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID16756975
Molecular FormulaC18H28N8O4
Molecular Weight420.47 g/mol
Exact Mass420.22
IUPAC Name2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESOCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1
InChIInChI=1S/C18H28N8O4/c27-7-1-19-17-21-13-14(15(23-17)25-3-9-29-10-4-25)22-18(20-2-8-28)24-16(13)26-5-11-30-12-6-26/h27-28H,1-12H2,(H,19,21,23)(H,20,22,24)
InChIKeyLOLWOFFZNLGXFZ-UHFFFAOYSA-N
XLogP-1.10
TPSA141.02 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol with MolForge

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Related Compounds

Dipyridamole
CID 3108
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[(2-methylpropyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16755878
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
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis[(3-methylbutyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16755977
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(cyclopropylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16755981

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 16756975) is 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1.
What is the InChIKey of 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is LOLWOFFZNLGXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N8O4/c27-7-1-19-17-21-13-14(15(23-17)25-3-9-29-10-4-25)22-18(20-2-8-28)24-16(13)26-5-11-30-12-6-26/h27-28H,1-12H2,(H,19,21,23)(H,20,22,24).
What are the key properties of 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 420.47 g/mol, XLogP of -1.10, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethylamino)-4,8-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 16756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).