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

C12H21N5O — CID 80780137

IUPAC2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCNc1nc(C)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H21N5O/c1-10-9-11(15-12(13-2)14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyVCGSFBFCABLOAV-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.06
Rot. Bonds4

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

2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 80780137) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID80780137
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCNc1nc(C)cc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H21N5O/c1-10-9-11(15-12(13-2)14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyVCGSFBFCABLOAV-UHFFFAOYSA-N
XLogP-0.06
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825182
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80808792
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 114566945
4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80838759
2-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanol
CID 107226786
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 144625270
4-(1,3-dihydroisoindol-2-yl)-N,6-dimethylpyrimidin-2-amine
CID 80822586
4-(2,6-dimethylthiomorpholin-4-yl)-N,6-dimethylpyrimidin-2-amine
CID 80835991
2-[4-[6-[1-(methylamino)ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 123159905
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 80780137) is 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol is CNc1nc(C)cc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is VCGSFBFCABLOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-9-11(15-12(13-2)14-10)17-5-3-16(4-6-17)7-8-18/h9,18H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 80780137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).