2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

C19H31N7O4 — CID 26172

IUPAC2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)ncc2n1
InChIInChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2
InChIKeyFOYWNSCCNCUEPU-UHFFFAOYSA-N
MW421.50 g/mol
LogP-1.01
Rot. Bonds11

About 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 26172) has the molecular formula C19H31N7O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID26172
Molecular FormulaC19H31N7O4
Molecular Weight421.50 g/mol
Exact Mass421.24
IUPAC Name2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)ncc2n1
InChIInChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2
InChIKeyFOYWNSCCNCUEPU-UHFFFAOYSA-N
XLogP-1.01
TPSA142.20 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

Dipyridamole
CID 3108
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-[Bis(2-hydroxyethyl)amino]-4,8-bis(dipropylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16756534
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(dibutylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16756535
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(dipentylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16756648
2-[[8-[Bis(2-hydroxyethyl)amino]-2,6-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 350804
6-Des(diethanolamino)-6-chloro dipyridamole
CID 12298684
2,4,6-Trimorpholinopyrimido(5,4-d)pyrimidine
CID 166876
2-({6-[Bis(2-hydroxyethyl)amino]-4,8-bis(4-methylpiperazin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
CID 16756976
Dipiperidino pyrimido-(5,4-d) pyrimidine
CID 54513347
RA 255
CID 166875

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol (CID 26172) is 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)ncc2n1.
What is the InChIKey of 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is FOYWNSCCNCUEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2.
What are the key properties of 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 421.50 g/mol, XLogP of -1.01, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-hydroxyethyl)amino]-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 26172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).