2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol

C16H22N4O — CID 80984868

IUPAC2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
SMILESCCc1nc(N)c(C)c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-3-14-18-15(17)12(2)16(19-14)20(9-10-21)11-13-7-5-4-6-8-13/h4-8,21H,3,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyXXCOSZQKFWZJRH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.93
Rot. Bonds6

About 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol

2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol (PubChem CID 80984868) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
PubChem CID80984868
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol
SMILESCCc1nc(N)c(C)c(N(CCO)Cc2ccccc2)n1
InChIInChI=1S/C16H22N4O/c1-3-14-18-15(17)12(2)16(19-14)20(9-10-21)11-13-7-5-4-6-8-13/h4-8,21H,3,9-11H2,1-2H3,(H2,17,18,19)
InChIKeyXXCOSZQKFWZJRH-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848532
2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987779
2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80986308
2-[(2-amino-7H-purin-6-yl)-benzylamino]ethanol
CID 114784943
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-benzylamino]ethanol
CID 80796932

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol (CID 80984868) is 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol is CCc1nc(N)c(C)c(N(CCO)Cc2ccccc2)n1.
What is the InChIKey of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol?
The InChIKey is XXCOSZQKFWZJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-14-18-15(17)12(2)16(19-14)20(9-10-21)11-13-7-5-4-6-8-13/h4-8,21H,3,9-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol?
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol has a molecular weight of 286.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-benzylamino]ethanol is sourced from PubChem (CID 80984868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).