5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one

C10H15IN2O2 — CID 136963868

IUPAC5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C10H15IN2O2/c1-5-10(3,15-4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14)
InChIKeyWZYIRGPKYMZZNI-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.95
Rot. Bonds3

About 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one

5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963868) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963868
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)(OC)c1nc(C)c(I)c(=O)[nH]1
InChIInChI=1S/C10H15IN2O2/c1-5-10(3,15-4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14)
InChIKeyWZYIRGPKYMZZNI-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxybutan-2-yl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963738
5-(2-hydroxyethyl)-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136983389
2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
5-bromo-4-cyclopropyl-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136964065
5-ethyl-2-(3-methoxypentan-3-yl)-4-methyl-1H-pyrimidin-6-one
CID 136963664
5-(aminomethyl)-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 116782622
2-(2-ethoxybutan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745116
2-(2-ethoxypropan-2-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997699
5-bromo-4-tert-butyl-2-(2-ethoxybutan-2-yl)-1H-pyrimidin-6-one
CID 136963923
5-[(cyclopropylamino)methyl]-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 114206324
5-bromo-2-(2-methoxybutan-2-yl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480645
2-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 136963868) is 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one is CCC(C)(OC)c1nc(C)c(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WZYIRGPKYMZZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-5-10(3,15-4)9-12-6(2)7(11)8(14)13-9/h5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one?
5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 322.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methoxybutan-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).