4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide

C11H14IN5O — CID 90148267

IUPAC4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide
SMILES[H]/N=C(\I)c1c(N)ncnc1NC1CCC(=O)CC1
InChIInChI=1S/C11H14IN5O/c12-9(13)8-10(14)15-5-16-11(8)17-6-1-3-7(18)4-2-6/h5-6,13H,1-4H2,(H3,14,15,16,17)/b13-9-
InChIKeyKYKKJMFYOWUSHZ-LCYFTJDESA-N
MW359.17 g/mol
LogP1.74
Rot. Bonds3

About 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide

4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide (PubChem CID 90148267) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide.

Molecular Properties

Compound Name4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide
PubChem CID90148267
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC Name4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide
SMILES[H]/N=C(\I)c1c(N)ncnc1NC1CCC(=O)CC1
InChIInChI=1S/C11H14IN5O/c12-9(13)8-10(14)15-5-16-11(8)17-6-1-3-7(18)4-2-6/h5-6,13H,1-4H2,(H3,14,15,16,17)/b13-9-
InChIKeyKYKKJMFYOWUSHZ-LCYFTJDESA-N
XLogP1.74
TPSA104.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide?
The IUPAC name of 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide (CID 90148267) is 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide.
What is the SMILES notation for 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide?
The canonical SMILES for 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide is [H]/N=C(\I)c1c(N)ncnc1NC1CCC(=O)CC1.
What is the InChIKey of 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide?
The InChIKey is KYKKJMFYOWUSHZ-LCYFTJDESA-N. The full InChI is InChI=1S/C11H14IN5O/c12-9(13)8-10(14)15-5-16-11(8)17-6-1-3-7(18)4-2-6/h5-6,13H,1-4H2,(H3,14,15,16,17)/b13-9-.
What are the key properties of 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide?
4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide has a molecular weight of 359.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(4-oxocyclohexyl)amino]pyrimidine-5-carboximidoyl iodide is sourced from PubChem (CID 90148267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).