4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine

C9H10ClIN2O — CID 66292233

IUPAC4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(C2CC2)nc(Cl)c1I
InChIInChI=1S/C9H10ClIN2O/c1-14-4-6-7(11)8(10)13-9(12-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyBTBKEOKIKDELDI-UHFFFAOYSA-N
MW324.55 g/mol
LogP2.76
Rot. Bonds3

About 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine

4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 66292233) has the molecular formula C9H10ClIN2O and a molecular weight of 324.55 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID66292233
Molecular FormulaC9H10ClIN2O
Molecular Weight324.55 g/mol
Exact Mass323.95
IUPAC Name4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(C2CC2)nc(Cl)c1I
InChIInChI=1S/C9H10ClIN2O/c1-14-4-6-7(11)8(10)13-9(12-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyBTBKEOKIKDELDI-UHFFFAOYSA-N
XLogP2.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 52.76
H-Bond Donors ≤ 50
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 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine (CID 66292233) is 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(C2CC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is BTBKEOKIKDELDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O/c1-14-4-6-7(11)8(10)13-9(12-6)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine?
4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 324.55 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66292233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).