4,6-dimethoxy-5-propylpyrimidine

C9H14N2O2 — CID 57010739

IUPAC4,6-dimethoxy-5-propylpyrimidine
SMILESCCCc1c(OC)ncnc1OC
InChIInChI=1S/C9H14N2O2/c1-4-5-7-8(12-2)10-6-11-9(7)13-3/h6H,4-5H2,1-3H3
InChIKeyUWYGYNGQQJSSCZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds4

About 4,6-dimethoxy-5-propylpyrimidine

4,6-dimethoxy-5-propylpyrimidine (PubChem CID 57010739) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,6-dimethoxy-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dimethoxy-5-propylpyrimidine
PubChem CID57010739
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,6-dimethoxy-5-propylpyrimidine
SMILESCCCc1c(OC)ncnc1OC
InChIInChI=1S/C9H14N2O2/c1-4-5-7-8(12-2)10-6-11-9(7)13-3/h6H,4-5H2,1-3H3
InChIKeyUWYGYNGQQJSSCZ-UHFFFAOYSA-N
XLogP1.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-5-propylpyrimidine?
The IUPAC name of 4,6-dimethoxy-5-propylpyrimidine (CID 57010739) is 4,6-dimethoxy-5-propylpyrimidine.
What is the SMILES notation for 4,6-dimethoxy-5-propylpyrimidine?
The canonical SMILES for 4,6-dimethoxy-5-propylpyrimidine is CCCc1c(OC)ncnc1OC.
What is the InChIKey of 4,6-dimethoxy-5-propylpyrimidine?
The InChIKey is UWYGYNGQQJSSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-8(12-2)10-6-11-9(7)13-3/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dimethoxy-5-propylpyrimidine?
4,6-dimethoxy-5-propylpyrimidine has a molecular weight of 182.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-5-propylpyrimidine is sourced from PubChem (CID 57010739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).