2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol

C11H19N5O — CID 121206050

IUPAC2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1cc(N2CCNCC2)ncn1
InChIInChI=1S/C11H19N5O/c1-15(6-7-17)10-8-11(14-9-13-10)16-4-2-12-3-5-16/h8-9,12,17H,2-7H2,1H3
InChIKeyLGLTWYGVFFSAOT-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.69
Rot. Bonds4

About 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol

2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 121206050) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
PubChem CID121206050
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
SMILESCN(CCO)c1cc(N2CCNCC2)ncn1
InChIInChI=1S/C11H19N5O/c1-15(6-7-17)10-8-11(14-9-13-10)16-4-2-12-3-5-16/h8-9,12,17H,2-7H2,1H3
InChIKeyLGLTWYGVFFSAOT-UHFFFAOYSA-N
XLogP-0.69
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
2-[methyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973430
6-[2-hydroxyethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 130173820
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
CID 112862664
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol (CID 121206050) is 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol is CN(CCO)c1cc(N2CCNCC2)ncn1.
What is the InChIKey of 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is LGLTWYGVFFSAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(6-7-17)10-8-11(14-9-13-10)16-4-2-12-3-5-16/h8-9,12,17H,2-7H2,1H3.
What are the key properties of 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol?
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 237.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 121206050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).