4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine

C10H14ClIN2O — CID 79203143

IUPAC4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine
SMILESCCc1nc(C(C)(C)OC)nc(Cl)c1I
InChIInChI=1S/C10H14ClIN2O/c1-5-6-7(12)8(11)14-9(13-6)10(2,3)15-4/h5H2,1-4H3
InChIKeyNDGLRXSDHCMBBF-UHFFFAOYSA-N
MW340.59 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine (PubChem CID 79203143) has the molecular formula C10H14ClIN2O and a molecular weight of 340.59 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine
PubChem CID79203143
Molecular FormulaC10H14ClIN2O
Molecular Weight340.59 g/mol
Exact Mass339.98
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine
SMILESCCc1nc(C(C)(C)OC)nc(Cl)c1I
InChIInChI=1S/C10H14ClIN2O/c1-5-6-7(12)8(11)14-9(13-6)10(2,3)15-4/h5H2,1-4H3
InChIKeyNDGLRXSDHCMBBF-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.59
LogP ≤ 53.18
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-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine (CID 79203143) is 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine is CCc1nc(C(C)(C)OC)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine?
The InChIKey is NDGLRXSDHCMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClIN2O/c1-5-6-7(12)8(11)14-9(13-6)10(2,3)15-4/h5H2,1-4H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine has a molecular weight of 340.59 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(2-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 79203143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).