2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine

C10H15ClIN3O — CID 115345630

IUPAC2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
SMILESCOCc1nc(CCN(C)C)nc(Cl)c1I
InChIInChI=1S/C10H15ClIN3O/c1-15(2)5-4-8-13-7(6-16-3)9(12)10(11)14-8/h4-6H2,1-3H3
InChIKeyXQTIJTVFZFIAGD-UHFFFAOYSA-N
MW355.61 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine

2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine (PubChem CID 115345630) has the molecular formula C10H15ClIN3O and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
PubChem CID115345630
Molecular FormulaC10H15ClIN3O
Molecular Weight355.61 g/mol
Exact Mass354.99
IUPAC Name2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
SMILESCOCc1nc(CCN(C)C)nc(Cl)c1I
InChIInChI=1S/C10H15ClIN3O/c1-15(2)5-4-8-13-7(6-16-3)9(12)10(11)14-8/h4-6H2,1-3H3
InChIKeyXQTIJTVFZFIAGD-UHFFFAOYSA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.61
LogP ≤ 51.99
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 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine (CID 115345630) is 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine is COCc1nc(CCN(C)C)nc(Cl)c1I.
What is the InChIKey of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
The InChIKey is XQTIJTVFZFIAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClIN3O/c1-15(2)5-4-8-13-7(6-16-3)9(12)10(11)14-8/h4-6H2,1-3H3.
What are the key properties of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine has a molecular weight of 355.61 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 115345630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).