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

C10H16IN3O2 — CID 136786672

IUPAC5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJJKCSHPVONFIDU-UHFFFAOYSA-N
MW337.16 g/mol
LogP1.60
Rot. Bonds7

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

5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (PubChem CID 136786672) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
PubChem CID136786672
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
SMILESCOCCCCCNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O2/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyJJKCSHPVONFIDU-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
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-(5-hydroxypentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136759217
4-[5-hydroxypentyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136766324
5-chloro-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786668
5-bromo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786670
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786674
5-iodo-4-[2-(oxolan-3-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786681
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821995
4-(6-hydroxyhexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136866832
5-iodo-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883381
4-[(5-hydroxy-4-methylpentyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136901129
5-iodo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955954

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one (CID 136786672) is 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is COCCCCCNc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
The InChIKey is JJKCSHPVONFIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-16-6-4-2-3-5-12-9-8(11)10(15)14-7-13-9/h7H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one?
5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one has a molecular weight of 337.16 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(5-methoxypentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136786672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).