4-chloro-2-cyclopropyl-6-methylpyrimidine

C8H9ClN2 — CID 43557492

IUPAC4-chloro-2-cyclopropyl-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H9ClN2/c1-5-4-7(9)11-8(10-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyRLILYTYYFLBNJR-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.32
Rot. Bonds1

About 4-chloro-2-cyclopropyl-6-methylpyrimidine

4-chloro-2-cyclopropyl-6-methylpyrimidine (PubChem CID 43557492) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-methylpyrimidine
PubChem CID43557492
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name4-chloro-2-cyclopropyl-6-methylpyrimidine
SMILESCc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H9ClN2/c1-5-4-7(9)11-8(10-5)6-2-3-6/h4,6H,2-3H2,1H3
InChIKeyRLILYTYYFLBNJR-UHFFFAOYSA-N
XLogP2.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-methylpyrimidine (CID 43557492) is 4-chloro-2-cyclopropyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-methylpyrimidine is Cc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-methylpyrimidine?
The InChIKey is RLILYTYYFLBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-4-7(9)11-8(10-5)6-2-3-6/h4,6H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-methylpyrimidine?
4-chloro-2-cyclopropyl-6-methylpyrimidine has a molecular weight of 168.63 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-methylpyrimidine is sourced from PubChem (CID 43557492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).