4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

C14H14ClIN2O — CID 66313448

IUPAC4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-8-4-9(2)6-10(5-8)14-17-11(7-19-3)12(16)13(15)18-14/h4-6H,7H2,1-3H3
InChIKeyONUKIOOBMNBYKY-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.16
Rot. Bonds3

About 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine

4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (PubChem CID 66313448) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
PubChem CID66313448
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1I
InChIInChI=1S/C14H14ClIN2O/c1-8-4-9(2)6-10(5-8)14-17-11(7-19-3)12(16)13(15)18-14/h4-6H,7H2,1-3H3
InChIKeyONUKIOOBMNBYKY-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
4-chloro-2-(1-ethylpyrazol-4-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 103570156
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 104770985
4-chloro-5-iodo-6-(methoxymethyl)-2-(3-nitrophenyl)pyrimidine
CID 66292636
4-chloro-2-(5-fluoro-2-pyridinyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 79722788
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
CID 66294484
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine (CID 66313448) is 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is COCc1nc(-c2cc(C)cc(C)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
The InChIKey is ONUKIOOBMNBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-8-4-9(2)6-10(5-8)14-17-11(7-19-3)12(16)13(15)18-14/h4-6H,7H2,1-3H3.
What are the key properties of 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine has a molecular weight of 388.64 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66313448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).