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

C13H22N4O — CID 80810817

IUPAC2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(7-8-18)11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,14,15,16)
InChIKeyJTNOUMJUXDKRGL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.65
Rot. Bonds5

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

2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80810817) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80810817
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1cc(N(CCO)C2CCCCC2)ncn1
InChIInChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(7-8-18)11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,14,15,16)
InChIKeyJTNOUMJUXDKRGL-UHFFFAOYSA-N
XLogP1.65
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclopentyl-(6-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80905074
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806902
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
2-[cyclohexyl-[6-(methylamino)pyrazin-2-yl]amino]ethanol
CID 80811054
2-[cyclopentyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 113367679
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
2-[cyclohexyl-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]amino]ethanol
CID 125171874

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80810817) is 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1cc(N(CCO)C2CCCCC2)ncn1.
What is the InChIKey of 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is JTNOUMJUXDKRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-14-12-9-13(16-10-15-12)17(7-8-18)11-5-3-2-4-6-11/h9-11,18H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 250.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80810817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).