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

C10H17IN4O — CID 136755772

IUPAC4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16)
InChIKeyLAHTXAWBRIATOA-UHFFFAOYSA-N
MW336.18 g/mol
LogP1.31
Rot. Bonds7

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

4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136755772) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136755772
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESNCCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H17IN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16)
InChIKeyLAHTXAWBRIATOA-UHFFFAOYSA-N
XLogP1.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 51.31
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-(6-aminohexylamino)-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-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689852
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-iodo-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701815
4-(2-ethylhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136701822
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-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one (CID 136755772) is 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one is NCCCCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is LAHTXAWBRIATOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c11-8-9(14-7-15-10(8)16)13-6-4-2-1-3-5-12/h7H,1-6,12H2,(H2,13,14,15,16).
What are the key properties of 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one?
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 336.18 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136755772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).