2-chloro-5-prop-1-en-2-ylpyrimidine

C7H7ClN2 — CID 58485316

IUPAC2-chloro-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cnc(Cl)nc1
InChIInChI=1S/C7H7ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-4H,1H2,2H3
InChIKeyYOHQZCZGJYLCEM-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-5-prop-1-en-2-ylpyrimidine

2-chloro-5-prop-1-en-2-ylpyrimidine (PubChem CID 58485316) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-chloro-5-prop-1-en-2-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-prop-1-en-2-ylpyrimidine
PubChem CID58485316
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name2-chloro-5-prop-1-en-2-ylpyrimidine
SMILESC=C(C)c1cnc(Cl)nc1
InChIInChI=1S/C7H7ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-4H,1H2,2H3
InChIKeyYOHQZCZGJYLCEM-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-prop-1-en-2-ylpyrimidine?
The IUPAC name of 2-chloro-5-prop-1-en-2-ylpyrimidine (CID 58485316) is 2-chloro-5-prop-1-en-2-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-prop-1-en-2-ylpyrimidine?
The canonical SMILES for 2-chloro-5-prop-1-en-2-ylpyrimidine is C=C(C)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-prop-1-en-2-ylpyrimidine?
The InChIKey is YOHQZCZGJYLCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c1-5(2)6-3-9-7(8)10-4-6/h3-4H,1H2,2H3.
What are the key properties of 2-chloro-5-prop-1-en-2-ylpyrimidine?
2-chloro-5-prop-1-en-2-ylpyrimidine has a molecular weight of 154.60 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-prop-1-en-2-ylpyrimidine is sourced from PubChem (CID 58485316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).