1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol

C13H16N4O — CID 61224926

IUPAC1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)c2ccc(N)cc2)ncn1
InChIInChI=1S/C13H16N4O/c1-9-6-13(17-8-16-9)15-7-12(18)10-2-4-11(14)5-3-10/h2-6,8,12,18H,7,14H2,1H3,(H,15,16,17)
InChIKeyWPGQALIITNEMMT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol

1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol (PubChem CID 61224926) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
PubChem CID61224926
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol
SMILESCc1cc(NCC(O)c2ccc(N)cc2)ncn1
InChIInChI=1S/C13H16N4O/c1-9-6-13(17-8-16-9)15-7-12(18)10-2-4-11(14)5-3-10/h2-6,8,12,18H,7,14H2,1H3,(H,15,16,17)
InChIKeyWPGQALIITNEMMT-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol (CID 61224926) is 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol is Cc1cc(NCC(O)c2ccc(N)cc2)ncn1.
What is the InChIKey of 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol?
The InChIKey is WPGQALIITNEMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-13(17-8-16-9)15-7-12(18)10-2-4-11(14)5-3-10/h2-6,8,12,18H,7,14H2,1H3,(H,15,16,17).
What are the key properties of 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol?
1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol has a molecular weight of 244.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(6-methylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 61224926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).