5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

C10H16IN3O — CID 136757521

IUPAC5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVJUKDACSVYJOQK-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.37
Rot. Bonds4

About 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one

5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136757521) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136757521
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(CC)Nc1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyVJUKDACSVYJOQK-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[(1-amino-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757124
4-[(1-chloro-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136757492
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757519
5-chloro-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757524
4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757525
5-bromo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757526
4-(2,2-dimethylbutylamino)-5-iodo-1H-pyrimidin-6-one
CID 136768844
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136849678
4-[(4-amino-2,2-dimethylbutyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136857332
4-[[2-(aminomethyl)-2-ethylbutyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136864216

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one (CID 136757521) is 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is CCC(C)(CC)Nc1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is VJUKDACSVYJOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-4-10(3,5-2)14-8-7(11)9(15)13-6-12-8/h6H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one?
5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136757521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).