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

C13H22N8O2 — CID 134520330

IUPAC2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
SMILESCNc1nc(NCCOC)c2nc(NC)nc(NCCO)c2n1
InChIInChI=1S/C13H22N8O2/c1-14-12-19-9-8(10(20-12)16-4-6-22)18-13(15-2)21-11(9)17-5-7-23-3/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21)
InChIKeyMKKIJDANRQVSQN-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.03
Rot. Bonds9

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

2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol (PubChem CID 134520330) has the molecular formula C13H22N8O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
PubChem CID134520330
Molecular FormulaC13H22N8O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
SMILESCNc1nc(NCCOC)c2nc(NC)nc(NCCO)c2n1
InChIInChI=1S/C13H22N8O2/c1-14-12-19-9-8(10(20-12)16-4-6-22)18-13(15-2)21-11(9)17-5-7-23-3/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21)
InChIKeyMKKIJDANRQVSQN-UHFFFAOYSA-N
XLogP-0.03
TPSA129.14 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-[[4-(benzylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520409
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-[[4,8-bis(2,2-dimethylpropylamino)-2-(2-hydroxyethylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 24860458
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol (CID 134520330) is 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol is CNc1nc(NCCOC)c2nc(NC)nc(NCCO)c2n1.
What is the InChIKey of 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
The InChIKey is MKKIJDANRQVSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8O2/c1-14-12-19-9-8(10(20-12)16-4-6-22)18-13(15-2)21-11(9)17-5-7-23-3/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21).
What are the key properties of 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol?
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol has a molecular weight of 322.37 g/mol, XLogP of -0.03, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol is sourced from PubChem (CID 134520330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).