2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane

C18H36N6O — CID 143087715

IUPAC2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(NCCO)CC1
InChIInChI=1S/C14H24N6O.2C2H6/c1-9(15)12-13(16)18-8-19-14(12)20-11-4-2-10(3-5-11)17-6-7-21;2*1-2/h8,10-11,15,17,21H,2-7H2,1H3,(H3,16,18,19,20);2*1-2H3/b15-9+;;
InChIKeyXBILMPJSOBVRIL-CBNWXSEKSA-N
MW352.53 g/mol
LogP2.80
Rot. Bonds6

About 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane

2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane (PubChem CID 143087715) has the molecular formula C18H36N6O and a molecular weight of 352.53 g/mol. Its IUPAC name is 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane.

Molecular Properties

Compound Name2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane
PubChem CID143087715
Molecular FormulaC18H36N6O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC Name2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane
SMILESCC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(NCCO)CC1
InChIInChI=1S/C14H24N6O.2C2H6/c1-9(15)12-13(16)18-8-19-14(12)20-11-4-2-10(3-5-11)17-6-7-21;2*1-2/h8,10-11,15,17,21H,2-7H2,1H3,(H3,16,18,19,20);2*1-2H3/b15-9+;;
InChIKeyXBILMPJSOBVRIL-CBNWXSEKSA-N
XLogP2.80
TPSA119.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 52.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane with MolForge

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Related Compounds

(1-{3-[(5,6-Dimethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72906961
2-[2,2-Difluoroethyl-[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495059
2-[2,2-Difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol
CID 107495213
2-[[5-Ethyl-6-(propylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495240
2-[[5-Ethyl-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495370
2-[(5,6-Dimethylpyrimidin-4-yl)amino]-1-(methylamino)propan-1-ol
CID 90453145
2-[(5,6-Dimethylpyrimidin-4-yl)amino]propan-1-ol
CID 118972824
4-N-(5,6-dimethylpyrimidin-4-yl)-1-N-methylcyclohexane-1,4-diamine
CID 123532821
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-N'-hydroxycyclohexane-1-carboximidamide;ethane
CID 143087703
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;morpholine
CID 143087711
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 143087712
Ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
CID 143087727

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane?
The IUPAC name of 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane (CID 143087715) is 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane.
What is the SMILES notation for 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane?
The canonical SMILES for 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane is CC.CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(NCCO)CC1.
What is the InChIKey of 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane?
The InChIKey is XBILMPJSOBVRIL-CBNWXSEKSA-N. The full InChI is InChI=1S/C14H24N6O.2C2H6/c1-9(15)12-13(16)18-8-19-14(12)20-11-4-2-10(3-5-11)17-6-7-21;2*1-2/h8,10-11,15,17,21H,2-7H2,1H3,(H3,16,18,19,20);2*1-2H3/b15-9+;;.
What are the key properties of 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane?
2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane has a molecular weight of 352.53 g/mol, XLogP of 2.80, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane is sourced from PubChem (CID 143087715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).