4-chloro-2-ethyl-5,6-dimethylpyrimidine

C8H11ClN2 — CID 21039945

IUPAC4-chloro-2-ethyl-5,6-dimethylpyrimidine
SMILESCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-4-7-10-6(3)5(2)8(9)11-7/h4H2,1-3H3
InChIKeySKTMSNOLDJGQOL-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.31
Rot. Bonds1

About 4-chloro-2-ethyl-5,6-dimethylpyrimidine

4-chloro-2-ethyl-5,6-dimethylpyrimidine (PubChem CID 21039945) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5,6-dimethylpyrimidine
PubChem CID21039945
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-2-ethyl-5,6-dimethylpyrimidine
SMILESCCc1nc(C)c(C)c(Cl)n1
InChIInChI=1S/C8H11ClN2/c1-4-7-10-6(3)5(2)8(9)11-7/h4H2,1-3H3
InChIKeySKTMSNOLDJGQOL-UHFFFAOYSA-N
XLogP2.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-6-fluoro-5-methylpyrimidine
CID 143740717
2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
CID 60996520
4-chloro-2-ethyl-6-methylpyrimidine-5-carbaldehyde
CID 131075508
4-chloro-2-(2-methoxyethyl)-5,6-dimethylpyrimidine
CID 61412813
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
6-chloro-2-ethyl-N,5-dimethyl-N-(2-methylsulfanylethyl)pyrimidin-4-amine
CID 112698439
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151
4-chloro-2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethylpyrimidine
CID 102927201
4,6-dichloro-2-(methoxymethyl)-5-methylpyrimidine
CID 63612316
4,6-dichloro-2-(2,2-dimethylpropyl)-5-methylpyrimidine
CID 63892135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5,6-dimethylpyrimidine (CID 21039945) is 4-chloro-2-ethyl-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5,6-dimethylpyrimidine is CCc1nc(C)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethyl-5,6-dimethylpyrimidine?
The InChIKey is SKTMSNOLDJGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-4-7-10-6(3)5(2)8(9)11-7/h4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5,6-dimethylpyrimidine?
4-chloro-2-ethyl-5,6-dimethylpyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5,6-dimethylpyrimidine is sourced from PubChem (CID 21039945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).