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

C10H16IN3O2 — CID 136866832

IUPAC4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1I
InChIInChI=1S/C10H16IN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyQPCIADGJNYFJKO-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.34
Rot. Bonds7

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

4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136866832) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136866832
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCCCCCO)c1I
InChIInChI=1S/C10H16IN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16)
InChIKeyQPCIADGJNYFJKO-UHFFFAOYSA-N
XLogP1.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.34
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'}

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Related Compounds

4-[(4-hydroxycyclohexyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136695134
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
4-(4-hydroxybutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136772471
5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786672
4-[(5-hydroxy-2,2-dimethylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857364
5-amino-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866826
5-bromo-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866827
4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866831
5-chloro-4-(6-hydroxyhexylamino)-1H-pyrimidin-6-one
CID 136866833
4-[(5-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901129

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one (CID 136866832) is 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCCCCCO)c1I.
What is the InChIKey of 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is QPCIADGJNYFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c11-8-9(13-7-14-10(8)16)12-5-3-1-2-4-6-15/h7,15H,1-6H2,(H2,12,13,14,16).
What are the key properties of 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one?
4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136866832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).