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

C12H20IN3O — CID 136957437

IUPAC4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H20IN3O/c1-3-5-7-16(8-6-4-2)11-10(13)12(17)15-9-14-11/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyVJXROFBHLYSLPE-UHFFFAOYSA-N
MW349.22 g/mol
LogP2.78
Rot. Bonds7

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

4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957437) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957437
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(CCCC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C12H20IN3O/c1-3-5-7-16(8-6-4-2)11-10(13)12(17)15-9-14-11/h9H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyVJXROFBHLYSLPE-UHFFFAOYSA-N
XLogP2.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 142964904
5-iodo-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957048
4-[ethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136957579
5-iodo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957957
5-iodo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971136
5-iodo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971139
5-Iodo-3-[4-(propan-2-ylamino)butyl]pyrimidin-4-one
CID 66308042
3-[4-(Ethylamino)butyl]-5-iodopyrimidin-4-one
CID 66308875
5-Iodo-3-[4-(2-methylpropylamino)butyl]pyrimidin-4-one
CID 66308876
5-Iodo-3-[3-(propylamino)propyl]pyrimidin-4-one
CID 66309297
5-Iodo-3-[4-(methylamino)butyl]pyrimidin-4-one
CID 66309941
3-[2-(Butylamino)ethyl]-5-iodopyrimidin-4-one
CID 66310146

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136957437) is 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one is CCCCN(CCCC)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is VJXROFBHLYSLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-3-5-7-16(8-6-4-2)11-10(13)12(17)15-9-14-11/h9H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 349.22 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).