2-chloro-4,6-dimethyl-5-propylpyrimidine

C9H13ClN2 — CID 171384292

IUPAC2-chloro-4,6-dimethyl-5-propylpyrimidine
SMILESCCCc1c(C)nc(Cl)nc1C
InChIInChI=1S/C9H13ClN2/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4-5H2,1-3H3
InChIKeyVMDFZJPYHJYRAM-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.70
Rot. Bonds2

About 2-chloro-4,6-dimethyl-5-propylpyrimidine

2-chloro-4,6-dimethyl-5-propylpyrimidine (PubChem CID 171384292) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-5-propylpyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-5-propylpyrimidine
PubChem CID171384292
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-4,6-dimethyl-5-propylpyrimidine
SMILESCCCc1c(C)nc(Cl)nc1C
InChIInChI=1S/C9H13ClN2/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4-5H2,1-3H3
InChIKeyVMDFZJPYHJYRAM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-5-propylpyrimidine?
The IUPAC name of 2-chloro-4,6-dimethyl-5-propylpyrimidine (CID 171384292) is 2-chloro-4,6-dimethyl-5-propylpyrimidine.
What is the SMILES notation for 2-chloro-4,6-dimethyl-5-propylpyrimidine?
The canonical SMILES for 2-chloro-4,6-dimethyl-5-propylpyrimidine is CCCc1c(C)nc(Cl)nc1C.
What is the InChIKey of 2-chloro-4,6-dimethyl-5-propylpyrimidine?
The InChIKey is VMDFZJPYHJYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-4-5-8-6(2)11-9(10)12-7(8)3/h4-5H2,1-3H3.
What are the key properties of 2-chloro-4,6-dimethyl-5-propylpyrimidine?
2-chloro-4,6-dimethyl-5-propylpyrimidine has a molecular weight of 184.67 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-5-propylpyrimidine is sourced from PubChem (CID 171384292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).