2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride

C14H25ClN8O — CID 134520366

IUPAC2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(N(C)CCO)nc(NC)nc12.Cl
InChIInChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(19-13(15-2)20-11)12(22(4)7-8-23)21-14(16-3)18-9;/h23H,5-8H2,1-4H3,(H,16,18,21)(H2,15,17,19,20);1H
InChIKeyLVGCGOIQXUSDGB-UHFFFAOYSA-N
MW356.86 g/mol
LogP1.18
Rot. Bonds8

About 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride

2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride (PubChem CID 134520366) has the molecular formula C14H25ClN8O and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
PubChem CID134520366
Molecular FormulaC14H25ClN8O
Molecular Weight356.86 g/mol
Exact Mass356.18
IUPAC Name2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
SMILESCCCNc1nc(NC)nc2c(N(C)CCO)nc(NC)nc12.Cl
InChIInChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(19-13(15-2)20-11)12(22(4)7-8-23)21-14(16-3)18-9;/h23H,5-8H2,1-4H3,(H,16,18,21)(H2,15,17,19,20);1H
InChIKeyLVGCGOIQXUSDGB-UHFFFAOYSA-N
XLogP1.18
TPSA111.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol;hydrochloride
CID 134520338
2-[[4-[cyclopropyl(methyl)amino]-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520383
1-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-2-ol;hydrochloride
CID 134520392
3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]propan-1-ol
CID 158342375
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol;hydrochloride
CID 134520124
2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
CID 134520372
4-N,8-N-dimethyl-2-N,6-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456592
3-[[8-(ethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 134520273
(2R)-3-[2,6-bis(methylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-2-methylpropan-1-ol
CID 158537234
2-[[4-(2-methoxyethylamino)-2,6-bis(methylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol
CID 134520330
3-[[4,8-bis(methylamino)-6-(propylamino)pyrimido[5,4-d]pyrimidin-2-yl]amino]propane-1,2-diol;hydrochloride
CID 134520131
2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456696

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride (CID 134520366) is 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride is CCCNc1nc(NC)nc2c(N(C)CCO)nc(NC)nc12.Cl.
What is the InChIKey of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride?
The InChIKey is LVGCGOIQXUSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8O.ClH/c1-5-6-17-11-9-10(19-13(15-2)20-11)12(22(4)7-8-23)21-14(16-3)18-9;/h23H,5-8H2,1-4H3,(H,16,18,21)(H2,15,17,19,20);1H.
What are the key properties of 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride?
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 1.18, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride is sourced from PubChem (CID 134520366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).