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

C14H19N5O — CID 117086718

IUPAC2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
SMILESCN(C)c1cccc(Nc2nccc(NCCO)n2)c1
InChIInChI=1S/C14H19N5O/c1-19(2)12-5-3-4-11(10-12)17-14-16-7-6-13(18-14)15-8-9-20/h3-7,10,20H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyHOBIFYBWHCCMAI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds6

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

2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol (PubChem CID 117086718) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
PubChem CID117086718
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
SMILESCN(C)c1cccc(Nc2nccc(NCCO)n2)c1
InChIInChI=1S/C14H19N5O/c1-19(2)12-5-3-4-11(10-12)17-14-16-7-6-13(18-14)15-8-9-20/h3-7,10,20H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyHOBIFYBWHCCMAI-UHFFFAOYSA-N
XLogP1.69
TPSA73.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
2-[[2-(3,4-difluoroanilino)pyrimidin-4-yl]amino]ethanol
CID 134158221
2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
2-[3-(dimethylamino)anilino]pyrimidine-4-carbothioamide
CID 107547845
4-N-[3-(dimethylamino)propyl]-2-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 23634363
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
CID 14347136
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149
4-N-[2-(dimethylamino)ethyl]-2-N-(3,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653412
2-N-(3-methoxyphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886107
2-N-(3-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885810
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol (CID 117086718) is 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol is CN(C)c1cccc(Nc2nccc(NCCO)n2)c1.
What is the InChIKey of 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol?
The InChIKey is HOBIFYBWHCCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19(2)12-5-3-4-11(10-12)17-14-16-7-6-13(18-14)15-8-9-20/h3-7,10,20H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol?
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117086718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).