2-chloro-5-propylpyrimidine

C7H9ClN2 — CID 2735784

IUPAC2-chloro-5-propylpyrimidine
SMILESCCCc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyWVPHBBSAPVBUGZ-UHFFFAOYSA-N
MW156.62 g/mol
LogP2.08
Rot. Bonds2

About 2-chloro-5-propylpyrimidine

2-chloro-5-propylpyrimidine (PubChem CID 2735784) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-chloro-5-propylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-propylpyrimidine
PubChem CID2735784
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-chloro-5-propylpyrimidine
SMILESCCCc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyWVPHBBSAPVBUGZ-UHFFFAOYSA-N
XLogP2.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propylpyrimidine?
The IUPAC name of 2-chloro-5-propylpyrimidine (CID 2735784) is 2-chloro-5-propylpyrimidine.
What is the SMILES notation for 2-chloro-5-propylpyrimidine?
The canonical SMILES for 2-chloro-5-propylpyrimidine is CCCc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-propylpyrimidine?
The InChIKey is WVPHBBSAPVBUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-2-3-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-5-propylpyrimidine?
2-chloro-5-propylpyrimidine has a molecular weight of 156.62 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propylpyrimidine is sourced from PubChem (CID 2735784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).