2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

C14H24N4O — CID 80810290

IUPAC2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncnc(N(CCO)C2CCCCC2)c1C
InChIInChI=1S/C14H24N4O/c1-11-13(15-2)16-10-17-14(11)18(8-9-19)12-6-4-3-5-7-12/h10,12,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWCNQXIMUKXLPBA-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.96
Rot. Bonds5

About 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80810290) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80810290
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncnc(N(CCO)C2CCCCC2)c1C
InChIInChI=1S/C14H24N4O/c1-11-13(15-2)16-10-17-14(11)18(8-9-19)12-6-4-3-5-7-12/h10,12,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyWCNQXIMUKXLPBA-UHFFFAOYSA-N
XLogP1.96
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopentyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80781625
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808426
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
CID 102875852
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
3-[cyclobutyl-[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propan-1-ol
CID 102846688
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80983019
2-[cyclohexyl-[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810933
4-N-cyclohexyl-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80761845
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875751
5-[methyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107207443

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80810290) is 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1ncnc(N(CCO)C2CCCCC2)c1C.
What is the InChIKey of 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is WCNQXIMUKXLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-13(15-2)16-10-17-14(11)18(8-9-19)12-6-4-3-5-7-12/h10,12,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80810290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).