4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole

C11H11ClIN3OS — CID 66292433

IUPAC4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCc1nc(Cc2csc(C)n2)nc(Cl)c1I
InChIInChI=1S/C11H11ClIN3OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(13)11(12)16-9/h5H,3-4H2,1-2H3
InChIKeyTXBAXFGVHUURDH-UHFFFAOYSA-N
MW395.65 g/mol
LogP3.24
Rot. Bonds4

About 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 66292433) has the molecular formula C11H11ClIN3OS and a molecular weight of 395.65 g/mol. Its IUPAC name is 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID66292433
Molecular FormulaC11H11ClIN3OS
Molecular Weight395.65 g/mol
Exact Mass394.94
IUPAC Name4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCOCc1nc(Cc2csc(C)n2)nc(Cl)c1I
InChIInChI=1S/C11H11ClIN3OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(13)11(12)16-9/h5H,3-4H2,1-2H3
InChIKeyTXBAXFGVHUURDH-UHFFFAOYSA-N
XLogP3.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66301993
4-[(4-chloro-5-iodo-6-propan-2-ylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66294245
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66298396
4-chloro-5-iodo-6-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]pyrimidine
CID 66292026
4-[(4-chloro-5-iodo-6-phenylpyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66292710
4-[(4-chloro-5-iodopyrimidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 66293677
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300780
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-N,N-dimethylethanamine
CID 115345630
5-iodo-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66307490
4-chloro-5,6-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 62800354
4-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidine
CID 55119649
2-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 66293043

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole (CID 66292433) is 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole is COCc1nc(Cc2csc(C)n2)nc(Cl)c1I.
What is the InChIKey of 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is TXBAXFGVHUURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClIN3OS/c1-6-14-7(5-18-6)3-9-15-8(4-17-2)10(13)11(12)16-9/h5H,3-4H2,1-2H3.
What are the key properties of 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 395.65 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 66292433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).