4-chloro-2-cyclopropyl-6-methoxypyrimidine

C8H9ClN2O — CID 80949381

IUPAC4-chloro-2-cyclopropyl-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyZCGKRSQYMJSBOX-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.02
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-methoxypyrimidine

4-chloro-2-cyclopropyl-6-methoxypyrimidine (PubChem CID 80949381) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-methoxypyrimidine
PubChem CID80949381
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-2-cyclopropyl-6-methoxypyrimidine
SMILESCOc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3
InChIKeyZCGKRSQYMJSBOX-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-methoxypyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-methoxypyrimidine (CID 80949381) is 4-chloro-2-cyclopropyl-6-methoxypyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-methoxypyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-methoxypyrimidine is COc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-methoxypyrimidine?
The InChIKey is ZCGKRSQYMJSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-12-7-4-6(9)10-8(11-7)5-2-3-5/h4-5H,2-3H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-methoxypyrimidine?
4-chloro-2-cyclopropyl-6-methoxypyrimidine has a molecular weight of 184.63 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-methoxypyrimidine is sourced from PubChem (CID 80949381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).