4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

C11H16IN3O — CID 136993902

IUPAC4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C11H16IN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyZIQVBGGOSVMXFD-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.14
Rot. Bonds2

About 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136993902) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136993902
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C11H16IN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyZIQVBGGOSVMXFD-UHFFFAOYSA-N
XLogP2.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Cyclohexylamino)propyl]-5-iodopyrimidin-4-one
CID 66310578
3-[2-(Cyclohexylamino)ethyl]-5-iodo-6-methylpyrimidin-4-one
CID 66340670
3-[3-(Cyclohexylamino)propyl]-5-iodo-6-methylpyrimidin-4-one
CID 66342456
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136792788
5-iodo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805300
5-iodo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805324
5-amino-4-[(2-aminocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136807856
5-iodo-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136825669
4-[5-aminopentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136829857

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136993902) is 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1I)C1CCCCC1.
What is the InChIKey of 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZIQVBGGOSVMXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 333.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136993902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).