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

C10H15ClIN3O — CID 136755788

IUPAC4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCCl)c1I
InChIInChI=1S/C10H15ClIN3O/c11-5-3-1-2-4-6-13-9-8(12)10(16)15-7-14-9/h7H,1-6H2,(H2,13,14,15,16)
InChIKeyCBFPKDZCNQKJEP-UHFFFAOYSA-N
MW355.61 g/mol
LogP2.59
Rot. Bonds7

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

4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136755788) has the molecular formula C10H15ClIN3O and a molecular weight of 355.61 g/mol. Its IUPAC name is 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136755788
Molecular FormulaC10H15ClIN3O
Molecular Weight355.61 g/mol
Exact Mass354.99
IUPAC Name4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCCl)c1I
InChIInChI=1S/C10H15ClIN3O/c11-5-3-1-2-4-6-13-9-8(12)10(16)15-7-14-9/h7H,1-6H2,(H2,13,14,15,16)
InChIKeyCBFPKDZCNQKJEP-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
4-[2-(2-chloroethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704115
4-[[2-(chloromethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136747498
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
5-chloro-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755785
5-bromo-4-(6-chlorohexylamino)-1H-pyrimidin-6-one
CID 136755789
4-[(1-chloro-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757492
5-chloro-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759226
5-bromo-4-(5-chloropentylamino)-1H-pyrimidin-6-one
CID 136759227
4-(5-chloropentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759228
5-chloro-4-(4-chlorobutylamino)-1H-pyrimidin-6-one
CID 136772480
4-(4-chlorobutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772482

Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one (CID 136755788) is 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCCl)c1I.
What is the InChIKey of 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is CBFPKDZCNQKJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClIN3O/c11-5-3-1-2-4-6-13-9-8(12)10(16)15-7-14-9/h7H,1-6H2,(H2,13,14,15,16).
What are the key properties of 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one?
4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 355.61 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136755788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).