4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid

C16H30N6O2 — CID 143087731

IUPAC4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid
SMILESCC.CNC(=O)O.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.C2H5NO2.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-2(4)5;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);3H,1H3,(H,4,5);1-2H3/b13-8+;;
InChIKeyRWSINMWTZVZKDX-LIYVDSPJSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds3

About 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid

4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid (PubChem CID 143087731) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid.

Molecular Properties

Compound Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid
PubChem CID143087731
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Name4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid
SMILESCC.CNC(=O)O.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C12H19N5.C2H5NO2.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-2(4)5;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);3H,1H3,(H,4,5);1-2H3/b13-8+;;
InChIKeyRWSINMWTZVZKDX-LIYVDSPJSA-N
XLogP3.10
TPSA137.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[4-(Dimethylamino)-5,6-dimethylpyrimidin-2-yl]amino]cyclohexyl]carbamic acid
CID 23027177
3-[2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]prop-2-ynylcarbamic acid
CID 68959376
4-[2-Amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]but-3-ynylcarbamic acid
CID 91487531
Tert-butyl 3-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 130331477
[4-[[2-(Dimethylamino)-5-methylpyrimidin-4-yl]amino]cyclohexyl]carbamic acid
CID 141129518
4-[(6-amino-5-ethanimidoylpyrimidin-4-yl)amino]-N'-hydroxycyclohexane-1-carboximidamide;ethane
CID 143087703
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine
CID 143087712
2-[[4-[(6-Amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexyl]amino]ethanol;ethane
CID 143087715
4-[(6-Amino-5-ethanimidoylpyrimidin-4-yl)amino]cyclohexan-1-one;ethane
CID 143087720
Ethane;3-[4-[[5-ethanimidoyl-6-(methylamino)pyrimidin-4-yl]amino]cyclohexyl]-1,3-oxazolidin-2-one
CID 143087727
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane
CID 143087794
ethane;5-ethanimidoyl-4-N-(1-propan-2-ylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 143924892

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid?
The IUPAC name of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid (CID 143087731) is 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid.
What is the SMILES notation for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid?
The canonical SMILES for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid is CC.CNC(=O)O.[H]/N=C(\C)c1c(N)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid?
The InChIKey is RWSINMWTZVZKDX-LIYVDSPJSA-N. The full InChI is InChI=1S/C12H19N5.C2H5NO2.C2H6/c1-8(13)10-11(14)15-7-16-12(10)17-9-5-3-2-4-6-9;1-3-2(4)5;1-2/h7,9,13H,2-6H2,1H3,(H3,14,15,16,17);3H,1H3,(H,4,5);1-2H3/b13-8+;;.
What are the key properties of 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid?
4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid has a molecular weight of 338.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-ethanimidoylpyrimidine-4,6-diamine;ethane;methylcarbamic acid is sourced from PubChem (CID 143087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).