4-chloro-6-ethyl-2-methylpyrimidine

C7H9ClN2 — CID 13153403

IUPAC4-chloro-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(Cl)nc(C)n1
InChIInChI=1S/C7H9ClN2/c1-3-6-4-7(8)10-5(2)9-6/h4H,3H2,1-2H3
InChIKeyJQRFVVPNKXQKBM-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.00
Rot. Bonds1

About 4-chloro-6-ethyl-2-methylpyrimidine

4-chloro-6-ethyl-2-methylpyrimidine (PubChem CID 13153403) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-methylpyrimidine
PubChem CID13153403
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name4-chloro-6-ethyl-2-methylpyrimidine
SMILESCCc1cc(Cl)nc(C)n1
InChIInChI=1S/C7H9ClN2/c1-3-6-4-7(8)10-5(2)9-6/h4H,3H2,1-2H3
InChIKeyJQRFVVPNKXQKBM-UHFFFAOYSA-N
XLogP2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-methylpyrimidine (CID 13153403) is 4-chloro-6-ethyl-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-methylpyrimidine is CCc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-methylpyrimidine?
The InChIKey is JQRFVVPNKXQKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-3-6-4-7(8)10-5(2)9-6/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-methylpyrimidine?
4-chloro-6-ethyl-2-methylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-methylpyrimidine is sourced from PubChem (CID 13153403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).