3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol

C13H22N8O — CID 134520273

IUPAC3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1nc(NC)nc2c(NCCCO)nc(NC)nc12
InChIInChI=1S/C13H22N8O/c1-4-16-10-8-9(19-12(14-2)20-10)11(17-6-5-7-22)21-13(15-3)18-8/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21)
InChIKeyIOUJLDWYTOMBPF-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.73
Rot. Bonds8

About 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol

3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 134520273) has the molecular formula C13H22N8O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID134520273
Molecular FormulaC13H22N8O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCCNc1nc(NC)nc2c(NCCCO)nc(NC)nc12
InChIInChI=1S/C13H22N8O/c1-4-16-10-8-9(19-12(14-2)20-10)11(17-6-5-7-22)21-13(15-3)18-8/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21)
InChIKeyIOUJLDWYTOMBPF-UHFFFAOYSA-N
XLogP0.73
TPSA119.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
4-N,8-N-diethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
CID 86295992
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
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
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 106846941

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol (CID 134520273) is 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol is CCNc1nc(NC)nc2c(NCCCO)nc(NC)nc12.
What is the InChIKey of 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is IOUJLDWYTOMBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N8O/c1-4-16-10-8-9(19-12(14-2)20-10)11(17-6-5-7-22)21-13(15-3)18-8/h22H,4-7H2,1-3H3,(H2,14,16,19,20)(H2,15,17,18,21).
What are the key properties of 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol?
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 306.37 g/mol, XLogP of 0.73, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 134520273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).