4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane

C14H23N5O — CID 143087720

IUPAC4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(=O)CC1
InChIInChI=1S/C12H17N5O.C2H6/c1-7(13)10-11(14)15-6-16-12(10)17-8-2-4-9(18)5-3-8;1-2/h6,8,13H,2-5H2,1H3,(H3,14,15,16,17);1-2H3/b13-7+;
InChIKeyONKRXXSPOAXVCB-FTPOTTDRSA-N
MW277.37 g/mol
LogP2.40
Rot. Bonds3

About 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane

4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane (PubChem CID 143087720) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane.

Molecular Properties

Compound Name4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane
PubChem CID143087720
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane
SMILESCC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(=O)CC1
InChIInChI=1S/C12H17N5O.C2H6/c1-7(13)10-11(14)15-6-16-12(10)17-8-2-4-9(18)5-3-8;1-2/h6,8,13H,2-5H2,1H3,(H3,14,15,16,17);1-2H3/b13-7+;
InChIKeyONKRXXSPOAXVCB-FTPOTTDRSA-N
XLogP2.40
TPSA104.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5,6-Trimethylpyrimidin-4-yl)amino]cyclohexan-1-one
CID 59943476
(3S)-7-amino-3-[3-(2,4,6-triaminopyrimidin-5-yl)propylamino]heptan-2-one
CID 60015055
4-Amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide
CID 90148267
4-[(2-Chloro-5-methylpyrimidin-4-yl)amino]cyclohexan-1-one
CID 142188467
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 143087712
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid
CID 143087731
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
CID 143087794
ethane;5-ethanimidoyl-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 143924904
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
CID 144819461
4-N-cyclopentyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
CID 145120458
4-[(2-Chloro-5-propylpyrimidin-4-yl)amino]cyclohexan-1-one
CID 146275519
ethane;5-ethanimidoyl-4-N-(1-methylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 156857442

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane?
The IUPAC name of 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane (CID 143087720) is 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane.
What is the SMILES notation for 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane?
The canonical SMILES for 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane is CC.[H]/N=C(\C)c1c(N)ncnc1NC1CCC(=O)CC1.
What is the InChIKey of 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane?
The InChIKey is ONKRXXSPOAXVCB-FTPOTTDRSA-N. The full InChI is InChI=1S/C12H17N5O.C2H6/c1-7(13)10-11(14)15-6-16-12(10)17-8-2-4-9(18)5-3-8;1-2/h6,8,13H,2-5H2,1H3,(H3,14,15,16,17);1-2H3/b13-7+;.
What are the key properties of 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane?
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane has a molecular weight of 277.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane is sourced from PubChem (CID 143087720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).