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

C10H16IN3O — CID 136768844

IUPAC4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFAAKEKCDUVXDKR-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.22
Rot. Bonds4

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

4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136768844) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
PubChem CID136768844
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyFAAKEKCDUVXDKR-UHFFFAOYSA-N
XLogP2.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(2,2-dimethylbutylamino)-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-[cyclobutylmethyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136716230
4-[(1-ethylcyclopentyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136723583
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
4-[3-(dimethylamino)propyl-ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136752197
5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757521
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768846
5-bromo-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768847
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136794223
5-iodo-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794535
5-iodo-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824072

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one (CID 136768844) is 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one is CCC(C)(C)CNc1nc[nH]c(=O)c1I.
What is the InChIKey of 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is FAAKEKCDUVXDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-4-10(2,3)5-12-8-7(11)9(15)14-6-13-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one?
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).