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

C11H14ClIN2O — CID 66292087

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C11H14ClIN2O/c1-2-5-16-6-8-14-10(7-3-4-7)9(13)11(12)15-8/h7H,2-6H2,1H3
InChIKeyVXEWNNDAQPBPPU-UHFFFAOYSA-N
MW352.60 g/mol
LogP3.54
Rot. Bonds5

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

4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine (PubChem CID 66292087) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine
PubChem CID66292087
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine
SMILESCCCOCc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C11H14ClIN2O/c1-2-5-16-6-8-14-10(7-3-4-7)9(13)11(12)15-8/h7H,2-6H2,1H3
InChIKeyVXEWNNDAQPBPPU-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine (CID 66292087) is 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine is CCCOCc1nc(Cl)c(I)c(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine?
The InChIKey is VXEWNNDAQPBPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-2-5-16-6-8-14-10(7-3-4-7)9(13)11(12)15-8/h7H,2-6H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine has a molecular weight of 352.60 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-(propoxymethyl)pyrimidine is sourced from PubChem (CID 66292087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).