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

C10H9ClIN3OS — CID 104770985

IUPAC2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCOCc1nc(-c2nc(C)cs2)nc(Cl)c1I
InChIInChI=1S/C10H9ClIN3OS/c1-5-4-17-10(13-5)9-14-6(3-16-2)7(12)8(11)15-9/h4H,3H2,1-2H3
InChIKeyGRGWERFCZHABDH-UHFFFAOYSA-N
MW381.63 g/mol
LogP3.31
Rot. Bonds3

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

2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 104770985) has the molecular formula C10H9ClIN3OS and a molecular weight of 381.63 g/mol. Its IUPAC name is 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID104770985
Molecular FormulaC10H9ClIN3OS
Molecular Weight381.63 g/mol
Exact Mass380.92
IUPAC Name2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCOCc1nc(-c2nc(C)cs2)nc(Cl)c1I
InChIInChI=1S/C10H9ClIN3OS/c1-5-4-17-10(13-5)9-14-6(3-16-2)7(12)8(11)15-9/h4H,3H2,1-2H3
InChIKeyGRGWERFCZHABDH-UHFFFAOYSA-N
XLogP3.31
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.63
LogP ≤ 53.31
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-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448
4-chloro-5-iodo-6-(methoxymethyl)-2-thiophen-2-ylpyrimidine
CID 66294484
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
2-(1-benzothiophen-3-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314227
4-chloro-2-(3,4-dimethoxyphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66294483
3-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]phenol
CID 66314034
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
4-chloro-5-iodo-6-(methoxymethyl)-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66294897
4-chloro-2-(5-ethylthiophen-2-yl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314228
4-chloro-2-(4-chloro-3-fluorophenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313450
4-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-2-methyl-1,3-thiazole
CID 66292433

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole (CID 104770985) is 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole is COCc1nc(-c2nc(C)cs2)nc(Cl)c1I.
What is the InChIKey of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is GRGWERFCZHABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3OS/c1-5-4-17-10(13-5)9-14-6(3-16-2)7(12)8(11)15-9/h4H,3H2,1-2H3.
What are the key properties of 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole?
2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 381.63 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 104770985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).