2-chloro-4-methoxypyrimidine

C5H5ClN2O — CID 588935

IUPAC2-chloro-4-methoxypyrimidine
SMILESCOc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyBDXYNMVQMBCTDB-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.14
Rot. Bonds1

About 2-chloro-4-methoxypyrimidine

2-chloro-4-methoxypyrimidine (PubChem CID 588935) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-chloro-4-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxypyrimidine
PubChem CID588935
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name2-chloro-4-methoxypyrimidine
SMILESCOc1ccnc(Cl)n1
InChIInChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKeyBDXYNMVQMBCTDB-UHFFFAOYSA-N
XLogP1.14
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxypyrimidine?
The IUPAC name of 2-chloro-4-methoxypyrimidine (CID 588935) is 2-chloro-4-methoxypyrimidine.
What is the SMILES notation for 2-chloro-4-methoxypyrimidine?
The canonical SMILES for 2-chloro-4-methoxypyrimidine is COc1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-methoxypyrimidine?
The InChIKey is BDXYNMVQMBCTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3.
What are the key properties of 2-chloro-4-methoxypyrimidine?
2-chloro-4-methoxypyrimidine has a molecular weight of 144.56 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxypyrimidine is sourced from PubChem (CID 588935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).