4-chloro-2-cyclopropylpyrimidine

C7H7ClN2 — CID 24903713

IUPAC4-chloro-2-cyclopropylpyrimidine
SMILESClc1ccnc(C2CC2)n1
InChIInChI=1S/C7H7ClN2/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyGNRIZSOSSWDACM-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.01
Rot. Bonds1

About 4-chloro-2-cyclopropylpyrimidine

4-chloro-2-cyclopropylpyrimidine (PubChem CID 24903713) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 4-chloro-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropylpyrimidine
PubChem CID24903713
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name4-chloro-2-cyclopropylpyrimidine
SMILESClc1ccnc(C2CC2)n1
InChIInChI=1S/C7H7ClN2/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2
InChIKeyGNRIZSOSSWDACM-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 4-chloro-2-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropylpyrimidine (CID 24903713) is 4-chloro-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropylpyrimidine is Clc1ccnc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropylpyrimidine?
The InChIKey is GNRIZSOSSWDACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropylpyrimidine?
4-chloro-2-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 4-chloro-2-cyclopropylpyrimidine is sourced from PubChem (CID 24903713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).