4,6-dichloro-5-propylpyrimidine

C7H8Cl2N2 — CID 53426036

IUPAC4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3
InChIKeyPZYFPCIJYWJJSF-UHFFFAOYSA-N
MW191.06 g/mol
LogP2.74
Rot. Bonds2

About 4,6-dichloro-5-propylpyrimidine

4,6-dichloro-5-propylpyrimidine (PubChem CID 53426036) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is 4,6-dichloro-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-propylpyrimidine
PubChem CID53426036
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name4,6-dichloro-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1Cl
InChIInChI=1S/C7H8Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3
InChIKeyPZYFPCIJYWJJSF-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-5-propylpyrimidine (CID 53426036) is 4,6-dichloro-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-propylpyrimidine is CCCc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-propylpyrimidine?
The InChIKey is PZYFPCIJYWJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2/c1-2-3-5-6(8)10-4-11-7(5)9/h4H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-5-propylpyrimidine?
4,6-dichloro-5-propylpyrimidine has a molecular weight of 191.06 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-propylpyrimidine is sourced from PubChem (CID 53426036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).