4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine

C11H9ClN2OS — CID 61280001

IUPAC4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccc(Sc2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyJWPKBHBXXRBRSZ-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.29
Rot. Bonds3

About 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine

4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine (PubChem CID 61280001) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
PubChem CID61280001
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccc(Sc2cc(Cl)ncn2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-6-10(12)13-7-14-11/h2-7H,1H3
InChIKeyJWPKBHBXXRBRSZ-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149
4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
CID 61277554
4-chloro-6-(4-methylsulfonylphenyl)sulfanylpyrimidine
CID 55175211
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
4-chloro-6-(4-methoxyphenyl)pyrimidine
CID 11160353
3-chloro-7-methoxyisoquinoline
CID 53425565
4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
CID 61279581
4-(4-chlorophenyl)sulfanyl-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19136685
trichloro-(4-methoxyphenyl)silane
CID 13219757
3-chloro-6-methoxyisoquinoline
CID 53407774
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine (CID 61280001) is 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine is COc1ccc(Sc2cc(Cl)ncn2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine?
The InChIKey is JWPKBHBXXRBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-6-10(12)13-7-14-11/h2-7H,1H3.
What are the key properties of 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine?
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine has a molecular weight of 252.73 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine is sourced from PubChem (CID 61280001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).