2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol

C12H15N5O — CID 91537514

IUPAC2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
SMILESNc1nccc(Nc2cccc(NCCO)c2)n1
InChIInChI=1S/C12H15N5O/c13-12-15-5-4-11(17-12)16-10-3-1-2-9(8-10)14-6-7-18/h1-5,8,14,18H,6-7H2,(H3,13,15,16,17)
InChIKeyBWKUABFDXXDIGV-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.21
Rot. Bonds5

About 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol

2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol (PubChem CID 91537514) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol.

Molecular Properties

Compound Name2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
PubChem CID91537514
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol
SMILESNc1nccc(Nc2cccc(NCCO)c2)n1
InChIInChI=1S/C12H15N5O/c13-12-15-5-4-11(17-12)16-10-3-1-2-9(8-10)14-6-7-18/h1-5,8,14,18H,6-7H2,(H3,13,15,16,17)
InChIKeyBWKUABFDXXDIGV-UHFFFAOYSA-N
XLogP1.21
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-bromo-3-fluorophenyl)pyrimidine-2,4-diamine
CID 80843375
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-N-(3-chloro-4-fluorophenyl)pyrimidine-2,4-diamine
CID 80755292
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
CID 134158221
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
CID 58393152
2-[4-[[6-(methylamino)-2-pyridinyl]amino]anilino]ethanol
CID 69135632
2-amino-5-[(2-aminopyrimidin-4-yl)amino]benzenecarboximidoyl iodide
CID 143557243
4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 80761249
[4-[5-[(2-aminopyrimidin-4-yl)amino]-1H-indazol-3-yl]phenyl]methanol
CID 59024180
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
4-N-[4-(pyridin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 174921115

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol?
The IUPAC name of 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol (CID 91537514) is 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol.
What is the SMILES notation for 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol?
The canonical SMILES for 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol is Nc1nccc(Nc2cccc(NCCO)c2)n1.
What is the InChIKey of 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol?
The InChIKey is BWKUABFDXXDIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12-15-5-4-11(17-12)16-10-3-1-2-9(8-10)14-6-7-18/h1-5,8,14,18H,6-7H2,(H3,13,15,16,17).
What are the key properties of 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol?
2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol has a molecular weight of 245.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-aminopyrimidin-4-yl)amino]anilino]ethanol is sourced from PubChem (CID 91537514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).