4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine

C9H6Cl2N2OS — CID 130560768

IUPAC4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine
SMILESCOc1cnc(-c2cc(Cl)cs2)nc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c1-14-6-3-12-9(13-8(6)11)7-2-5(10)4-15-7/h2-4H,1H3
InChIKeyYSXKHPZQESYYHC-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.52
Rot. Bonds2

About 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine

4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine (PubChem CID 130560768) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine
PubChem CID130560768
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine
SMILESCOc1cnc(-c2cc(Cl)cs2)nc1Cl
InChIInChI=1S/C9H6Cl2N2OS/c1-14-6-3-12-9(13-8(6)11)7-2-5(10)4-15-7/h2-4H,1H3
InChIKeyYSXKHPZQESYYHC-UHFFFAOYSA-N
XLogP3.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
4-chloro-2-(4-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidine
CID 79428080
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456
4-chloro-2-ethenyl-5-methoxypyrimidine
CID 175485449
1-(4-chloro-5-methoxypyrimidin-2-yl)ethanone
CID 163278723
5-(5-bromo-4-chloropyrimidin-2-yl)-2-methoxy-1,3-thiazole
CID 130590473
4-chloro-5-methoxy-2-(2-methylthiolan-2-yl)pyrimidine
CID 130752272
ethyl 4-chloro-2-(4-fluoro-3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59777590
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
4-chloro-N-cyclopropyl-5-methoxypyrimidin-2-amine
CID 66569539
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
CID 174107373
2-(4-chlorothiophen-2-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79427323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine (CID 130560768) is 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine is COc1cnc(-c2cc(Cl)cs2)nc1Cl.
What is the InChIKey of 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine?
The InChIKey is YSXKHPZQESYYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c1-14-6-3-12-9(13-8(6)11)7-2-5(10)4-15-7/h2-4H,1H3.
What are the key properties of 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine?
4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine has a molecular weight of 261.13 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorothiophen-2-yl)-5-methoxypyrimidine is sourced from PubChem (CID 130560768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).