5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

C10H16IN3O — CID 136971318

IUPAC5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(C)N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-5-10(2,3)14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyWZUCIEQERNDFQB-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.00
Rot. Bonds3

About 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one

5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136971318) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID136971318
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCC(C)(C)N(C)c1nc[nH]c(=O)c1I
InChIInChI=1S/C10H16IN3O/c1-5-10(2,3)14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15)
InChIKeyWZUCIEQERNDFQB-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one (CID 136971318) is 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is CCC(C)(C)N(C)c1nc[nH]c(=O)c1I.
What is the InChIKey of 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WZUCIEQERNDFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-5-10(2,3)14(4)8-7(11)9(15)13-6-12-8/h6H,5H2,1-4H3,(H,12,13,15).
What are the key properties of 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one?
5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 321.16 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-[methyl(2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136971318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).