4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one

C10H16IN3O — CID 136957272

IUPAC4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWHXYCXXDAJOWSZ-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.22
Rot. Bonds5

About 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one

4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136957272) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136957272
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(CC)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyWHXYCXXDAJOWSZ-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-ethylbutylamino)-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

4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-(5-aminopentylamino)-5-iodo-1H-pyrimidin-6-one
CID 136689853
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
4-[2-(2-chloroethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704115
4-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-(6-aminohexylamino)-5-iodo-1H-pyrimidin-6-one
CID 136755772
4-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136957272) is 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one is CCC(CC)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is WHXYCXXDAJOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-3-7(4-2)5-12-9-8(11)10(15)14-6-13-9/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136957272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).