4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine

C14H14ClIN2O — CID 116746101

IUPAC4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
SMILESCCOC(c1ccccc1)c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C14H14ClIN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h4-8,12H,3H2,1-2H3
InChIKeySQVNUFCUUMGFEJ-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine

4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine (PubChem CID 116746101) has the molecular formula C14H14ClIN2O and a molecular weight of 388.64 g/mol. Its IUPAC name is 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
PubChem CID116746101
Molecular FormulaC14H14ClIN2O
Molecular Weight388.64 g/mol
Exact Mass387.98
IUPAC Name4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine
SMILESCCOC(c1ccccc1)c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C14H14ClIN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h4-8,12H,3H2,1-2H3
InChIKeySQVNUFCUUMGFEJ-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.17
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

2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-chloro-5-ethyl-2-[methoxy(phenyl)methyl]-6-methylpyrimidine
CID 116745810
2-[ethoxy(phenyl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 116776116
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
4-(chloromethyl)-2-[ethoxy(phenyl)methyl]pyrimidine
CID 116779042
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
4,6-dichloro-2-(1-ethoxypropyl)-5-phenylpyrimidine
CID 116706347
[2-[ethoxy(phenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 116777487
(1S)-3-amino-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837365

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine (CID 116746101) is 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine is CCOC(c1ccccc1)c1nc(C)c(I)c(Cl)n1.
What is the InChIKey of 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine?
The InChIKey is SQVNUFCUUMGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClIN2O/c1-3-19-12(10-7-5-4-6-8-10)14-17-9(2)11(16)13(15)18-14/h4-8,12H,3H2,1-2H3.
What are the key properties of 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine?
4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine has a molecular weight of 388.64 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[ethoxy(phenyl)methyl]-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 116746101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).