5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione

C10H15IN2O2 — CID 99781864

IUPAC5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione
SMILESCC[C@@H](C)Cn1c(=O)c(I)cn(C)c1=O
InChIInChI=1S/C10H15IN2O2/c1-4-7(2)5-13-9(14)8(11)6-12(3)10(13)15/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyFWVHXEKDOJNSBL-SSDOTTSWSA-N
MW322.15 g/mol
LogP1.20
Rot. Bonds3

About 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione

5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione (PubChem CID 99781864) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione
PubChem CID99781864
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione
SMILESCC[C@@H](C)Cn1c(=O)c(I)cn(C)c1=O
InChIInChI=1S/C10H15IN2O2/c1-4-7(2)5-13-9(14)8(11)6-12(3)10(13)15/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyFWVHXEKDOJNSBL-SSDOTTSWSA-N
XLogP1.20
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione (CID 99781864) is 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione is CC[C@@H](C)Cn1c(=O)c(I)cn(C)c1=O.
What is the InChIKey of 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione?
The InChIKey is FWVHXEKDOJNSBL-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-4-7(2)5-13-9(14)8(11)6-12(3)10(13)15/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione?
5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione has a molecular weight of 322.15 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-methyl-3-[(2R)-2-methylbutyl]pyrimidine-2,4-dione is sourced from PubChem (CID 99781864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).