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

C14H24ClN7O — CID 134520372

IUPAC2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
SMILESCCCNc1nc(N(C)C)nc2c(N(C)CCO)ncnc12.Cl
InChIInChI=1S/C14H23N7O.ClH/c1-5-6-15-12-10-11(18-14(19-12)20(2)3)13(17-9-16-10)21(4)7-8-22;/h9,22H,5-8H2,1-4H3,(H,15,18,19);1H
InChIKeyDJIBEKWZLCXZPO-UHFFFAOYSA-N
MW341.85 g/mol
LogP1.16
Rot. Bonds7

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

2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride (PubChem CID 134520372) has the molecular formula C14H24ClN7O and a molecular weight of 341.85 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
PubChem CID134520372
Molecular FormulaC14H24ClN7O
Molecular Weight341.85 g/mol
Exact Mass341.17
IUPAC Name2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride
SMILESCCCNc1nc(N(C)C)nc2c(N(C)CCO)ncnc12.Cl
InChIInChI=1S/C14H23N7O.ClH/c1-5-6-15-12-10-11(18-14(19-12)20(2)3)13(17-9-16-10)21(4)7-8-22;/h9,22H,5-8H2,1-4H3,(H,15,18,19);1H
InChIKeyDJIBEKWZLCXZPO-UHFFFAOYSA-N
XLogP1.16
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]-2-methylpropan-2-ol
CID 134520331
2-[[2,6-bis(methylamino)-8-(propylamino)pyrimido[5,4-d]pyrimidin-4-yl]-methylamino]ethanol;hydrochloride
CID 134520366
1-[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]pyrrolidin-3-ol
CID 134520190
2-[[4-(cyclopropylmethylamino)-2-(dimethylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]ethanol;hydrochloride
CID 134520388
(1R,2R)-1-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 134520116
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
CID 80771706
2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
2-[cyclopropyl-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811423
2-N,4-N,8-N-tripropylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
CID 70232922
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
2-[[2-(dimethylamino)-4,8-bis(methylamino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol;hydrochloride
CID 134520430

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride (CID 134520372) is 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride is CCCNc1nc(N(C)C)nc2c(N(C)CCO)ncnc12.Cl.
What is the InChIKey of 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride?
The InChIKey is DJIBEKWZLCXZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O.ClH/c1-5-6-15-12-10-11(18-14(19-12)20(2)3)13(17-9-16-10)21(4)7-8-22;/h9,22H,5-8H2,1-4H3,(H,15,18,19);1H.
What are the key properties of 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride?
2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride has a molecular weight of 341.85 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-(propylamino)pyrimido[5,4-d]pyrimidin-8-yl]-methylamino]ethanol;hydrochloride is sourced from PubChem (CID 134520372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).