5-chloro-2,4-diethylpyrimidine

C8H11ClN2 — CID 134912842

IUPAC5-chloro-2,4-diethylpyrimidine
SMILESCCc1ncc(Cl)c(CC)n1
InChIInChI=1S/C8H11ClN2/c1-3-7-6(9)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3
InChIKeyMLMLIIGARLBWOT-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.25
Rot. Bonds2

About 5-chloro-2,4-diethylpyrimidine

5-chloro-2,4-diethylpyrimidine (PubChem CID 134912842) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 5-chloro-2,4-diethylpyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-diethylpyrimidine
PubChem CID134912842
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name5-chloro-2,4-diethylpyrimidine
SMILESCCc1ncc(Cl)c(CC)n1
InChIInChI=1S/C8H11ClN2/c1-3-7-6(9)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3
InChIKeyMLMLIIGARLBWOT-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dichloro-6-ethylpyrimidine
CID 11137668
2,5-Dichloro-4-methylpyrimidine
CID 21278621
4-Chloro-6-ethylpyrimidine
CID 11137271
5-Chloro-4-methylpyrimidine-2-carbonitrile
CID 13860976
4-Ethyl-5-fluoropyrimidine
CID 19074919
4-Butyl-6-chloropyrimidine
CID 33676399
2-Chloro-5-methyl-4-(1-methylethyl)-pyrimidine
CID 51342202
2,4-Diethyl-5-fluoropyrimidine
CID 132229551
2-(Chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
CID 155978274
2,4-Dibutyl-5-chloropyrimidine
CID 139215017
4-Ethyl-2-methylpyrimidine
CID 12396386
5-Chloro-4-methylpyrimidine
CID 12600385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-diethylpyrimidine?
The IUPAC name of 5-chloro-2,4-diethylpyrimidine (CID 134912842) is 5-chloro-2,4-diethylpyrimidine.
What is the SMILES notation for 5-chloro-2,4-diethylpyrimidine?
The canonical SMILES for 5-chloro-2,4-diethylpyrimidine is CCc1ncc(Cl)c(CC)n1.
What is the InChIKey of 5-chloro-2,4-diethylpyrimidine?
The InChIKey is MLMLIIGARLBWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-3-7-6(9)5-10-8(4-2)11-7/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-2,4-diethylpyrimidine?
5-chloro-2,4-diethylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-diethylpyrimidine is sourced from PubChem (CID 134912842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).