2-chloro-4,5-diethyl-6-methylpyrimidine

C9H13ClN2 — CID 155686934

IUPAC2-chloro-4,5-diethyl-6-methylpyrimidine
SMILESCCc1nc(Cl)nc(C)c1CC
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3
InChIKeyJAGSFCNHTCQZQN-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-4,5-diethyl-6-methylpyrimidine

2-chloro-4,5-diethyl-6-methylpyrimidine (PubChem CID 155686934) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4,5-diethyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4,5-diethyl-6-methylpyrimidine
PubChem CID155686934
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-4,5-diethyl-6-methylpyrimidine
SMILESCCc1nc(Cl)nc(C)c1CC
InChIInChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3
InChIKeyJAGSFCNHTCQZQN-UHFFFAOYSA-N
XLogP2.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)-1-morpholin-4-ylpropan-1-one
CID 155686687
2-chloro-4,5,6-trimethylpyrimidine
CID 12501987
1-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)piperidin-4-amine
CID 95928585
2,4-diethyl-3,5,6-trimethylpyridine
CID 59964349
2-(1-chloroethyl)-5-ethyl-4,6-dimethylpyrimidine
CID 80655215
3-(2-chloro-5-ethyl-6-methylpyrimidin-4-yl)oxyaniline
CID 95928611
2-butan-2-yl-4-chloro-5-ethyl-6-methylpyrimidine
CID 62313435
5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693645
3,4-diethyl-5-methyl-1,2-oxazole
CID 59688885
2,4-dichloro-5,6-dimethylpyrimidine
CID 156777151
7-chloro-6-ethyl-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
CID 104621702
2-chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-diethyl-6-methylpyrimidine?
The IUPAC name of 2-chloro-4,5-diethyl-6-methylpyrimidine (CID 155686934) is 2-chloro-4,5-diethyl-6-methylpyrimidine.
What is the SMILES notation for 2-chloro-4,5-diethyl-6-methylpyrimidine?
The canonical SMILES for 2-chloro-4,5-diethyl-6-methylpyrimidine is CCc1nc(Cl)nc(C)c1CC.
What is the InChIKey of 2-chloro-4,5-diethyl-6-methylpyrimidine?
The InChIKey is JAGSFCNHTCQZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-7-6(3)11-9(10)12-8(7)5-2/h4-5H2,1-3H3.
What are the key properties of 2-chloro-4,5-diethyl-6-methylpyrimidine?
2-chloro-4,5-diethyl-6-methylpyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-diethyl-6-methylpyrimidine is sourced from PubChem (CID 155686934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).