4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine

C12H13ClN2S — CID 43557747

IUPAC4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
SMILESCc1ccsc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C12H13ClN2S/c1-7(2)9-6-10(13)15-12(14-9)11-8(3)4-5-16-11/h4-7H,1-3H3
InChIKeyQKZDVBFFLUPMCY-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine

4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine (PubChem CID 43557747) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
PubChem CID43557747
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
SMILESCc1ccsc1-c1nc(Cl)cc(C(C)C)n1
InChIInChI=1S/C12H13ClN2S/c1-7(2)9-6-10(13)15-12(14-9)11-8(3)4-5-16-11/h4-7H,1-3H3
InChIKeyQKZDVBFFLUPMCY-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62251669
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 113390310
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
4-chloro-2-(3,4-dichlorophenyl)-6-propan-2-ylpyrimidine
CID 43557756
4-chloro-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-ylpyrimidine
CID 54977971
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
2,4-dichloro-6-propan-2-ylpyrimidine;2-propan-2-ylthiophene
CID 159365099
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
5-bromo-4-chloro-6-methyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 66312815
5,6-dimethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62203881
4,6-dichloro-5-(3-methylphenyl)-2-(3-methylthiophen-2-yl)pyrimidine
CID 79422292
6-ethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62201574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine (CID 43557747) is 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine is Cc1ccsc1-c1nc(Cl)cc(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine?
The InChIKey is QKZDVBFFLUPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-7(2)9-6-10(13)15-12(14-9)11-8(3)4-5-16-11/h4-7H,1-3H3.
What are the key properties of 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine?
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine has a molecular weight of 252.77 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 43557747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).