4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine

C9H7ClN4O — CID 86668897

IUPAC4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
SMILESCOc1cnc(-c2cnccn2)nc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-7-5-13-9(14-8(7)10)6-4-11-2-3-12-6/h2-5H,1H3
InChIKeyHHRGYMHYBYMBFM-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine

4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine (PubChem CID 86668897) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
PubChem CID86668897
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
SMILESCOc1cnc(-c2cnccn2)nc1Cl
InChIInChI=1S/C9H7ClN4O/c1-15-7-5-13-9(14-8(7)10)6-4-11-2-3-12-6/h2-5H,1H3
InChIKeyHHRGYMHYBYMBFM-UHFFFAOYSA-N
XLogP1.60
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine (CID 86668897) is 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine is COc1cnc(-c2cnccn2)nc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine?
The InChIKey is HHRGYMHYBYMBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c1-15-7-5-13-9(14-8(7)10)6-4-11-2-3-12-6/h2-5H,1H3.
What are the key properties of 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine?
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine has a molecular weight of 222.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 86668897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).