6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

C10H14ClIN2O2 — CID 103036365

IUPAC6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5H2,1-3H3
InChIKeyHPDMJFUKSXXSDU-UHFFFAOYSA-N
MW356.59 g/mol
LogP2.32
Rot. Bonds4

About 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one

6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (PubChem CID 103036365) has the molecular formula C10H14ClIN2O2 and a molecular weight of 356.59 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
PubChem CID103036365
Molecular FormulaC10H14ClIN2O2
Molecular Weight356.59 g/mol
Exact Mass355.98
IUPAC Name6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
SMILESCOC(C)(C)CCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C10H14ClIN2O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5H2,1-3H3
InChIKeyHPDMJFUKSXXSDU-UHFFFAOYSA-N
XLogP2.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 52.32
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 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one (CID 103036365) is 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is COC(C)(C)CCn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
The InChIKey is HPDMJFUKSXXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O2/c1-10(2,16-3)4-5-14-6-13-8(11)7(12)9(14)15/h6H,4-5H2,1-3H3.
What are the key properties of 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one?
6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one has a molecular weight of 356.59 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 103036365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).