5-chloro-2,4-dimethoxypyrimidine

C6H7ClN2O2 — CID 14270028

IUPAC5-chloro-2,4-dimethoxypyrimidine
SMILESCOc1ncc(Cl)c(OC)n1
InChIInChI=1S/C6H7ClN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChIKeyNEAICPKWHCRGIM-UHFFFAOYSA-N
MW174.59 g/mol
LogP1.15
Rot. Bonds2

About 5-chloro-2,4-dimethoxypyrimidine

5-chloro-2,4-dimethoxypyrimidine (PubChem CID 14270028) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxypyrimidine
PubChem CID14270028
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name5-chloro-2,4-dimethoxypyrimidine
SMILESCOc1ncc(Cl)c(OC)n1
InChIInChI=1S/C6H7ClN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3
InChIKeyNEAICPKWHCRGIM-UHFFFAOYSA-N
XLogP1.15
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-dimethoxypyrimidine?
The IUPAC name of 5-chloro-2,4-dimethoxypyrimidine (CID 14270028) is 5-chloro-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-chloro-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-chloro-2,4-dimethoxypyrimidine is COc1ncc(Cl)c(OC)n1.
What is the InChIKey of 5-chloro-2,4-dimethoxypyrimidine?
The InChIKey is NEAICPKWHCRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-10-5-4(7)3-8-6(9-5)11-2/h3H,1-2H3.
What are the key properties of 5-chloro-2,4-dimethoxypyrimidine?
5-chloro-2,4-dimethoxypyrimidine has a molecular weight of 174.59 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-dimethoxypyrimidine is sourced from PubChem (CID 14270028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).