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

C22H36N8O2 — CID 59525138

IUPAC2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCNc1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
InChIInChI=1S/C22H36N8O2/c1-2-23-21-24-17-18(19(26-21)28-9-5-3-6-10-28)25-22(30(13-15-31)14-16-32)27-20(17)29-11-7-4-8-12-29/h31-32H,2-16H2,1H3,(H,23,24,26)
InChIKeySYGYPYWAPYBACA-UHFFFAOYSA-N
MW444.58 g/mol
LogP1.62
Rot. Bonds9

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

2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 59525138) has the molecular formula C22H36N8O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID59525138
Molecular FormulaC22H36N8O2
Molecular Weight444.58 g/mol
Exact Mass444.30
IUPAC Name2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
SMILESCCNc1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
InChIInChI=1S/C22H36N8O2/c1-2-23-21-24-17-18(19(26-21)28-9-5-3-6-10-28)25-22(30(13-15-31)14-16-32)27-20(17)29-11-7-4-8-12-29/h31-32H,2-16H2,1H3,(H,23,24,26)
InChIKeySYGYPYWAPYBACA-UHFFFAOYSA-N
XLogP1.62
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

3-[2-[bis(2-hydroxyethyl)amino]-8-ethyl-4-piperidin-1-ylpyrimido[5,4-d]pyrimidin-6-yl]pentane-1,5-diol;2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol
CID 91181997
2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol;phenylhydrazine
CID 174649721
2-[[4-[bis(2-hydroxyethyl)amino]-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonic acid
CID 167346558
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]ethanol
CID 80796567
(3R,4R,5S,6S)-6-[2-[[6-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 126968507
2-[ethyl-(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]ethanol
CID 7216404
2-N,6-N,6-N-tris(deuteriooxymethyl)-2-N-(methoxymethyl)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diamine
CID 59037545
4-N-butyl-2-N,4-N-diethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80756226
1-[2,6-bis[bis(2-methoxyethyl)amino]-4-(4-hydroxy-4-methylpiperidin-1-yl)pyrimido[5,4-d]pyrimidin-8-yl]-4-methylpiperidin-4-ol
CID 156839893
2-[[4-(1-oxo-1,4-thiazinan-4-yl)-8-piperidin-1-ylpyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol
CID 13043517
2-[[8-(azepan-1-yl)-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-2-yl]amino]ethanol
CID 13043524
4-N-cyclopropyl-2-N-ethyl-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775644

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol (CID 59525138) is 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol is CCNc1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1.
What is the InChIKey of 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SYGYPYWAPYBACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N8O2/c1-2-23-21-24-17-18(19(26-21)28-9-5-3-6-10-28)25-22(30(13-15-31)14-16-32)27-20(17)29-11-7-4-8-12-29/h31-32H,2-16H2,1H3,(H,23,24,26).
What are the key properties of 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 444.58 g/mol, XLogP of 1.62, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-2-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 59525138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).