2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol

C12H21N5O — CID 80810818

IUPAC2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
SMILESNc1cc(N(CCO)C2CCCCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c13-10-8-11(16-12(14)15-10)17(6-7-18)9-4-2-1-3-5-9/h8-9,18H,1-7H2,(H4,13,14,15,16)
InChIKeyVTDGYMBQMMZAKL-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds4

About 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol

2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol (PubChem CID 80810818) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
PubChem CID80810818
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
SMILESNc1cc(N(CCO)C2CCCCC2)nc(N)n1
InChIInChI=1S/C12H21N5O/c13-10-8-11(16-12(14)15-10)17(6-7-18)9-4-2-1-3-5-9/h8-9,18H,1-7H2,(H4,13,14,15,16)
InChIKeyVTDGYMBQMMZAKL-UHFFFAOYSA-N
XLogP0.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80811563
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-[(6-amino-2-propylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80955025
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]ethanol
CID 102718030
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol (CID 80810818) is 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol is Nc1cc(N(CCO)C2CCCCC2)nc(N)n1.
What is the InChIKey of 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol?
The InChIKey is VTDGYMBQMMZAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-10-8-11(16-12(14)15-10)17(6-7-18)9-4-2-1-3-5-9/h8-9,18H,1-7H2,(H4,13,14,15,16).
What are the key properties of 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol?
2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 80810818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).