2-chloro-5-cyclopropylpyrimidine

C7H7ClN2 — CID 46864087

IUPAC2-chloro-5-cyclopropylpyrimidine
SMILESClc1ncc(C2CC2)cn1
InChIInChI=1S/C7H7ClN2/c8-7-9-3-6(4-10-7)5-1-2-5/h3-5H,1-2H2
InChIKeyCJFRIMRBHHUJKW-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.01
Rot. Bonds1

About 2-chloro-5-cyclopropylpyrimidine

2-chloro-5-cyclopropylpyrimidine (PubChem CID 46864087) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 2-chloro-5-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-cyclopropylpyrimidine
PubChem CID46864087
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name2-chloro-5-cyclopropylpyrimidine
SMILESClc1ncc(C2CC2)cn1
InChIInChI=1S/C7H7ClN2/c8-7-9-3-6(4-10-7)5-1-2-5/h3-5H,1-2H2
InChIKeyCJFRIMRBHHUJKW-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclopropylpyrimidine?
The IUPAC name of 2-chloro-5-cyclopropylpyrimidine (CID 46864087) is 2-chloro-5-cyclopropylpyrimidine.
What is the SMILES notation for 2-chloro-5-cyclopropylpyrimidine?
The canonical SMILES for 2-chloro-5-cyclopropylpyrimidine is Clc1ncc(C2CC2)cn1.
What is the InChIKey of 2-chloro-5-cyclopropylpyrimidine?
The InChIKey is CJFRIMRBHHUJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-9-3-6(4-10-7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 2-chloro-5-cyclopropylpyrimidine?
2-chloro-5-cyclopropylpyrimidine has a molecular weight of 154.60 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclopropylpyrimidine is sourced from PubChem (CID 46864087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).