2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

C20H36N8O2 — CID 24860458

IUPAC2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12
InChIInChI=1S/C20H36N8O2/c1-19(2,3)11-23-15-13-14(26-17(27-15)21-7-9-29)16(24-12-20(4,5)6)28-18(25-13)22-8-10-30/h29-30H,7-12H2,1-6H3,(H2,21,23,26,27)(H2,22,24,25,28)
InChIKeyIVGRFEXTSWIFNW-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.14
Rot. Bonds10

About 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol

2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (PubChem CID 24860458) has the molecular formula C20H36N8O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
PubChem CID24860458
Molecular FormulaC20H36N8O2
Molecular Weight420.56 g/mol
Exact Mass420.30
IUPAC Name2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
SMILESCC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12
InChIInChI=1S/C20H36N8O2/c1-19(2,3)11-23-15-13-14(26-17(27-15)21-7-9-29)16(24-12-20(4,5)6)28-18(25-13)22-8-10-30/h29-30H,7-12H2,1-6H3,(H2,21,23,26,27)(H2,22,24,25,28)
InChIKeyIVGRFEXTSWIFNW-UHFFFAOYSA-N
XLogP2.14
TPSA140.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 52.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
2-[[8-(benzylamino)-4-(dimethylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 101170662
2-[4-(2-hydroxyethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]propan-2-ol
CID 110178189
2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
2-[(4,6-difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 54479155
2-[[4-(dimethylamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67172901
2-[[5-(2-hydroxyethylamino)-2,3-dimethylpyrazino[2,3-d]pyridazin-8-yl]amino]ethanol
CID 134914576
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273

Frequently Asked Questions

What is the IUPAC name of 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The IUPAC name of 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol (CID 24860458) is 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is CC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12.
What is the InChIKey of 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
The InChIKey is IVGRFEXTSWIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N8O2/c1-19(2,3)11-23-15-13-14(26-17(27-15)21-7-9-29)16(24-12-20(4,5)6)28-18(25-13)22-8-10-30/h29-30H,7-12H2,1-6H3,(H2,21,23,26,27)(H2,22,24,25,28).
What are the key properties of 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol?
2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol has a molecular weight of 420.56 g/mol, XLogP of 2.14, 10 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol is sourced from PubChem (CID 24860458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).