2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol

C13H16N4O — CID 117094665

IUPAC2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(-c2cccc(N)c2)nc1NCCO
InChIInChI=1S/C13H16N4O/c1-9-8-16-13(17-12(9)15-5-6-18)10-3-2-4-11(14)7-10/h2-4,7-8,18H,5-6,14H2,1H3,(H,15,16,17)
InChIKeyUKGPICFFNMCFIU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.44
Rot. Bonds4

About 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol

2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 117094665) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol
PubChem CID117094665
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cnc(-c2cccc(N)c2)nc1NCCO
InChIInChI=1S/C13H16N4O/c1-9-8-16-13(17-12(9)15-5-6-18)10-3-2-4-11(14)7-10/h2-4,7-8,18H,5-6,14H2,1H3,(H,15,16,17)
InChIKeyUKGPICFFNMCFIU-UHFFFAOYSA-N
XLogP1.44
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-aminophenyl)-9-propan-2-ylpurin-6-yl]amino]ethanol
CID 117080503
2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]ethanol
CID 117090414
2-[(5-amino-4-methylisoquinolin-1-yl)amino]ethanol
CID 82570805
2-[[2-(3-aminophenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethanol
CID 117091353
3-[2-(3-aminophenyl)pyrimidin-5-yl]propan-1-ol
CID 112754962
2-(3-aminophenyl)-N-propyl-7H-purin-6-amine
CID 117090188
[3-(4,5-dimethylpyrimidin-2-yl)phenyl]methanol
CID 71028488
N-[4-[[2-(3-acetylphenyl)-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 117083241
N-[4-[(3-aminophenyl)sulfonimidoyl]butyl]-2-chloro-5-methylpyrimidin-4-amine;ethane
CID 143307224
2-[[2-(isoquinolin-1-ylamino)-5-methylpyrimidin-4-yl]amino]ethanol
CID 117094231
3-(5-propan-2-ylpyrimidin-2-yl)aniline
CID 105466920
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol (CID 117094665) is 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol is Cc1cnc(-c2cccc(N)c2)nc1NCCO.
What is the InChIKey of 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is UKGPICFFNMCFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-16-13(17-12(9)15-5-6-18)10-3-2-4-11(14)7-10/h2-4,7-8,18H,5-6,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 244.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenyl)-5-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117094665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).