4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

C10H16IN3O — CID 136957402

IUPAC4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(CC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-3-5-6-14(4-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyZBGFCTLVEJJGDQ-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.00
Rot. Bonds5

About 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one

4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957402) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
PubChem CID136957402
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
SMILESCCCCN(CC)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-3-5-6-14(4-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyZBGFCTLVEJJGDQ-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[butyl(ethyl)amino]-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-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-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one (CID 136957402) is 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is CCCCN(CC)c1nc[nH]c(=O)c1I.
What is the InChIKey of 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZBGFCTLVEJJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-3-5-6-14(4-2)9-8(11)10(15)13-7-12-9/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one?
4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).