2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol

C16H17N5O — CID 117094231

IUPAC2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(Nc2nccc3ccccc23)nc1NCCO
InChIInChI=1S/C16H17N5O/c1-11-10-19-16(20-14(11)18-8-9-22)21-15-13-5-3-2-4-12(13)6-7-17-15/h2-7,10,22H,8-9H2,1H3,(H2,17,18,19,20,21)
InChIKeyMUQHTMIBLMXFOP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.48
Rot. Bonds5

About 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 117094231) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol
PubChem CID117094231
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(Nc2nccc3ccccc23)nc1NCCO
InChIInChI=1S/C16H17N5O/c1-11-10-19-16(20-14(11)18-8-9-22)21-15-13-5-3-2-4-12(13)6-7-17-15/h2-7,10,22H,8-9H2,1H3,(H2,17,18,19,20,21)
InChIKeyMUQHTMIBLMXFOP-UHFFFAOYSA-N
XLogP2.48
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117088919
4-N-(1H-benzimidazol-2-ylmethyl)-2-N-isoquinolin-1-yl-5-methylpyrimidine-2,4-diamine
CID 117090195
2-(phthalazin-1-ylamino)ethanol
CID 2065587
N-(4-methylphenyl)isoquinolin-1-amine
CID 3248179
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80942779
3-[2-(isoquinolin-1-ylamino)ethylsulfanyl]propan-1-ol
CID 106307359
5-methyl-4-N-(2-phenoxyethyl)-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117093089
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
N-pyrazin-2-ylisoquinolin-1-amine
CID 66836772
N-(4-methylphenyl)isoquinolin-1-amine;dihydrate
CID 51057775
N-phenylisoquinolin-1-amine
CID 613037
4-[2-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082238

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol (CID 117094231) is 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol is Cc1cnc(Nc2nccc3ccccc23)nc1NCCO.
What is the InChIKey of 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is MUQHTMIBLMXFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-10-19-16(20-14(11)18-8-9-22)21-15-13-5-3-2-4-12(13)6-7-17-15/h2-7,10,22H,8-9H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 295.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117094231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).