2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol

C30H52N8O4 — CID 16756299

IUPAC2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol
SMILESCC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCOC(C)C)nc(N3CCCCC3)c2n1
InChIInChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3
InChIKeyNBWNWNNXKXAZHY-UHFFFAOYSA-N
MW588.80 g/mol
LogP2.85
Rot. Bonds16

About 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol

2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol (PubChem CID 16756299) has the molecular formula C30H52N8O4 and a molecular weight of 588.80 g/mol. Its IUPAC name is 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol
PubChem CID16756299
Molecular FormulaC30H52N8O4
Molecular Weight588.80 g/mol
Exact Mass588.41
IUPAC Name2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol
SMILESCC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCOC(C)C)nc(N3CCCCC3)c2n1
InChIInChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3
InChIKeyNBWNWNNXKXAZHY-UHFFFAOYSA-N
XLogP2.85
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol with MolForge

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Related Compounds

Dipyridamole
CID 3108
2-{[4,8-Bis(azocan-1-yl)-6-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl](2-hydroxyethyl)amino}ethan-1-ol
CID 16756415
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[(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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol (CID 16756299) is 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol is CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCOC(C)C)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol?
The InChIKey is NBWNWNNXKXAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3.
What are the key properties of 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol?
2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol has a molecular weight of 588.80 g/mol, XLogP of 2.85, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-propan-2-yloxyethyl)amino]ethanol is sourced from PubChem (CID 16756299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).