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

C9H15IN4O — CID 136689853

IUPAC4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H15IN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyYVUSDFMNPNQROK-UHFFFAOYSA-N
MW322.15 g/mol
LogP0.92
Rot. Bonds6

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

4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136689853) has the molecular formula C9H15IN4O and a molecular weight of 322.15 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136689853
Molecular FormulaC9H15IN4O
Molecular Weight322.15 g/mol
Exact Mass322.03
IUPAC Name4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C9H15IN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15)
InChIKeyYVUSDFMNPNQROK-UHFFFAOYSA-N
XLogP0.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-aminopentylamino)-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

5-iodo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957048
5-iodo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957055
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
4-[2-(2-aminoethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704111
5-iodo-4-(octan-4-ylamino)-1H-pyrimidin-6-one
CID 136731498
4-(hex-5-ynylamino)-5-iodo-1H-pyrimidin-6-one
CID 136736692
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
4-(6-aminohexylamino)-1H-pyrimidin-6-one
CID 136755771

Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one (CID 136689853) is 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one is NCCCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is YVUSDFMNPNQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4O/c10-7-8(13-6-14-9(7)15)12-5-3-1-2-4-11/h6H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one?
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 322.15 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136689853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).