4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one

C12H18IN3O — CID 137015485

IUPAC4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-8(9-5-3-2-4-6-9)16-11-10(13)12(17)15-7-14-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyRTEZHGGMAWBSDB-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.76
Rot. Bonds3

About 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one

4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 137015485) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID137015485
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1I)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-8(9-5-3-2-4-6-9)16-11-10(13)12(17)15-7-14-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17)
InChIKeyRTEZHGGMAWBSDB-UHFFFAOYSA-N
XLogP2.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
5-iodo-4-[1-(oxolan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136956097
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
4-(1-cyclopropylbutan-2-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956690
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
4-(1-cyclohexylethylamino)-1H-pyrimidin-6-one
CID 136956585
4-[1-(1-adamantyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136955925
5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136989298
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one (CID 137015485) is 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1I)C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is RTEZHGGMAWBSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-8(9-5-3-2-4-6-9)16-11-10(13)12(17)15-7-14-11/h7-9H,2-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one?
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 347.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 137015485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).