5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine

C10H15ClN2O2 — CID 58044405

IUPAC5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine
SMILESCOc1nc(OCCC(C)C)ncc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-7(2)4-5-15-10-12-6-8(11)9(13-10)14-3/h6-7H,4-5H2,1-3H3
InChIKeyJHGLARNDDWPREJ-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.56
Rot. Bonds5

About 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine

5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine (PubChem CID 58044405) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine
PubChem CID58044405
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine
SMILESCOc1nc(OCCC(C)C)ncc1Cl
InChIInChI=1S/C10H15ClN2O2/c1-7(2)4-5-15-10-12-6-8(11)9(13-10)14-3/h6-7H,4-5H2,1-3H3
InChIKeyJHGLARNDDWPREJ-UHFFFAOYSA-N
XLogP2.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine?
The IUPAC name of 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine (CID 58044405) is 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine.
What is the SMILES notation for 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine?
The canonical SMILES for 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine is COc1nc(OCCC(C)C)ncc1Cl.
What is the InChIKey of 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine?
The InChIKey is JHGLARNDDWPREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-7(2)4-5-15-10-12-6-8(11)9(13-10)14-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine?
5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine has a molecular weight of 230.69 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-2-(3-methylbutoxy)pyrimidine is sourced from PubChem (CID 58044405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).