2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

C12H20N4O — CID 102875669

IUPAC2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCC2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-9-14-11(13-2)8-12(15-9)16(6-7-17)10-4-3-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyAATDXOHHMIKYFJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.18
Rot. Bonds5

About 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 102875669) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID102875669
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCC2)nc(C)n1
InChIInChI=1S/C12H20N4O/c1-9-14-11(13-2)8-12(15-9)16(6-7-17)10-4-3-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyAATDXOHHMIKYFJ-UHFFFAOYSA-N
XLogP1.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[cyclohexyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80787099
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
2-[cyclohexyl-[6-(methylamino)pyrazin-2-yl]amino]ethanol
CID 80811054
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 102875669) is 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1cc(N(CCO)C2CCC2)nc(C)n1.
What is the InChIKey of 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is AATDXOHHMIKYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-14-11(13-2)8-12(15-9)16(6-7-17)10-4-3-5-10/h8,10,17H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 236.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 102875669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).