4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine

C12H13ClN2S — CID 60999742

IUPAC4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
SMILESCCc1c(C)nc(-c2ccc(C)s2)nc1Cl
InChIInChI=1S/C12H13ClN2S/c1-4-9-8(3)14-12(15-11(9)13)10-6-5-7(2)16-10/h5-6H,4H2,1-3H3
InChIKeyAFGFBJKLAARVCK-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.04
Rot. Bonds2

About 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine

4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine (PubChem CID 60999742) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
PubChem CID60999742
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine
SMILESCCc1c(C)nc(-c2ccc(C)s2)nc1Cl
InChIInChI=1S/C12H13ClN2S/c1-4-9-8(3)14-12(15-11(9)13)10-6-5-7(2)16-10/h5-6H,4H2,1-3H3
InChIKeyAFGFBJKLAARVCK-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine (CID 60999742) is 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine is CCc1c(C)nc(-c2ccc(C)s2)nc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine?
The InChIKey is AFGFBJKLAARVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-4-9-8(3)14-12(15-11(9)13)10-6-5-7(2)16-10/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine?
4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine has a molecular weight of 252.77 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-methyl-2-(5-methylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 60999742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).