4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine

C14H14ClIN2O2 — CID 66292796

IUPAC4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O2/c1-4-9-12(16)13(15)18-14(17-9)8-5-6-10(19-2)11(7-8)20-3/h5-7H,4H2,1-3H3
InChIKeySDQQKPZTVDVSSL-UHFFFAOYSA-N
MW404.64 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine

4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine (PubChem CID 66292796) has the molecular formula C14H14ClIN2O2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
PubChem CID66292796
Molecular FormulaC14H14ClIN2O2
Molecular Weight404.64 g/mol
Exact Mass403.98
IUPAC Name4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O2/c1-4-9-12(16)13(15)18-14(17-9)8-5-6-10(19-2)11(7-8)20-3/h5-7H,4H2,1-3H3
InChIKeySDQQKPZTVDVSSL-UHFFFAOYSA-N
XLogP3.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.64
LogP ≤ 53.98
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 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine (CID 66292796) is 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine is CCc1nc(-c2ccc(OC)c(OC)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine?
The InChIKey is SDQQKPZTVDVSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O2/c1-4-9-12(16)13(15)18-14(17-9)8-5-6-10(19-2)11(7-8)20-3/h5-7H,4H2,1-3H3.
What are the key properties of 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine?
4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine has a molecular weight of 404.64 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dimethoxyphenyl)-6-ethyl-5-iodopyrimidine is sourced from PubChem (CID 66292796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).