2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol

C18H22N6O — CID 19141107

IUPAC2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2cccc3ccc(C)nc23)c1N
InChIInChI=1S/C18H22N6O/c1-3-24(9-10-25)18-15(19)17(20-11-21-18)23-14-6-4-5-13-8-7-12(2)22-16(13)14/h4-8,11,25H,3,9-10,19H2,1-2H3,(H,20,21,23)
InChIKeyJZJBIFFAYROCKC-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.48
Rot. Bonds6

About 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol

2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol (PubChem CID 19141107) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
PubChem CID19141107
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1ncnc(Nc2cccc3ccc(C)nc23)c1N
InChIInChI=1S/C18H22N6O/c1-3-24(9-10-25)18-15(19)17(20-11-21-18)23-14-6-4-5-13-8-7-12(2)22-16(13)14/h4-8,11,25H,3,9-10,19H2,1-2H3,(H,20,21,23)
InChIKeyJZJBIFFAYROCKC-UHFFFAOYSA-N
XLogP2.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-6-hydrazinylpyrimidin-4-yl)-ethylamino]ethanol
CID 19141155
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
2-[[5-amino-6-(2,4-difluoroanilino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141212
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144993
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol (CID 19141107) is 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol is CCN(CCO)c1ncnc(Nc2cccc3ccc(C)nc23)c1N.
What is the InChIKey of 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol?
The InChIKey is JZJBIFFAYROCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-24(9-10-25)18-15(19)17(20-11-21-18)23-14-6-4-5-13-8-7-12(2)22-16(13)14/h4-8,11,25H,3,9-10,19H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol?
2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol has a molecular weight of 338.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol is sourced from PubChem (CID 19141107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).