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

C13H23N5O — CID 115265221

IUPAC2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCN(C)c1cc(N2CCN(CCO)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-3-16(2)12-10-13(15-11-14-12)18-6-4-17(5-7-18)8-9-19/h10-11,19H,3-9H2,1-2H3
InChIKeyJXSMQRPBJPQUGR-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.05
Rot. Bonds5

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

2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 115265221) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID115265221
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCN(C)c1cc(N2CCN(CCO)CC2)ncn1
InChIInChI=1S/C13H23N5O/c1-3-16(2)12-10-13(15-11-14-12)18-6-4-17(5-7-18)8-9-19/h10-11,19H,3-9H2,1-2H3
InChIKeyJXSMQRPBJPQUGR-UHFFFAOYSA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858075
6-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 124824334
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
CID 121206050
2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 123159905
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]ethanol
CID 133381541
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992
6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 78929729
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 83265901
4-[6-(diethylamino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858251
6-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-N,N-dimethylpyrimidin-4-amine
CID 136568889

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 115265221) is 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is CCN(C)c1cc(N2CCN(CCO)CC2)ncn1.
What is the InChIKey of 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is JXSMQRPBJPQUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-16(2)12-10-13(15-11-14-12)18-6-4-17(5-7-18)8-9-19/h10-11,19H,3-9H2,1-2H3.
What are the key properties of 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 115265221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).