3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one

C13H20IN3O — CID 66310578

IUPAC3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCNC1CCCCC1
InChIInChI=1S/C13H20IN3O/c14-12-9-15-10-17(13(12)18)8-4-7-16-11-5-2-1-3-6-11/h9-11,16H,1-8H2
InChIKeyKUFVQIVGLHSGQC-UHFFFAOYSA-N
MW361.23 g/mol
LogP2.16
Rot. Bonds5

About 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one

3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one (PubChem CID 66310578) has the molecular formula C13H20IN3O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one
PubChem CID66310578
Molecular FormulaC13H20IN3O
Molecular Weight361.23 g/mol
Exact Mass361.07
IUPAC Name3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCCNC1CCCCC1
InChIInChI=1S/C13H20IN3O/c14-12-9-15-10-17(13(12)18)8-4-7-16-11-5-2-1-3-6-11/h9-11,16H,1-8H2
InChIKeyKUFVQIVGLHSGQC-UHFFFAOYSA-N
XLogP2.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cyclopentylmethylamino)ethyl]-5-iodopyrimidin-4-one
CID 66310580
5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66309078
3-[2-(cycloheptylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340070
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
5-[3-(cyclohexylamino)propyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735476
5-iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
5-iodo-3-(3-phenoxypropyl)pyrimidin-4-one
CID 66310566
5-(5-iodo-6-oxopyrimidin-1-yl)pentanehydrazide
CID 66310802
1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
5-iodo-3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
CID 66310149
3-(2-imidazol-1-ylethyl)-5-iodopyrimidin-4-one
CID 66310129

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one (CID 66310578) is 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCCNC1CCCCC1.
What is the InChIKey of 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one?
The InChIKey is KUFVQIVGLHSGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN3O/c14-12-9-15-10-17(13(12)18)8-4-7-16-11-5-2-1-3-6-11/h9-11,16H,1-8H2.
What are the key properties of 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one?
3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one has a molecular weight of 361.23 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylamino)propyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66310578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).