4-methoxy-5-propylpyrimidine

C8H12N2O — CID 57057784

IUPAC4-methoxy-5-propylpyrimidine
SMILESCCCc1cncnc1OC
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10-8(7)11-2/h5-6H,3-4H2,1-2H3
InChIKeyDLLRXXYPBFGHNX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.44
Rot. Bonds3

About 4-methoxy-5-propylpyrimidine

4-methoxy-5-propylpyrimidine (PubChem CID 57057784) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methoxy-5-propylpyrimidine.

Molecular Properties

Compound Name4-methoxy-5-propylpyrimidine
PubChem CID57057784
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methoxy-5-propylpyrimidine
SMILESCCCc1cncnc1OC
InChIInChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10-8(7)11-2/h5-6H,3-4H2,1-2H3
InChIKeyDLLRXXYPBFGHNX-UHFFFAOYSA-N
XLogP1.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-propylpyrimidine?
The IUPAC name of 4-methoxy-5-propylpyrimidine (CID 57057784) is 4-methoxy-5-propylpyrimidine.
What is the SMILES notation for 4-methoxy-5-propylpyrimidine?
The canonical SMILES for 4-methoxy-5-propylpyrimidine is CCCc1cncnc1OC.
What is the InChIKey of 4-methoxy-5-propylpyrimidine?
The InChIKey is DLLRXXYPBFGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-4-7-5-9-6-10-8(7)11-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-5-propylpyrimidine?
4-methoxy-5-propylpyrimidine has a molecular weight of 152.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-propylpyrimidine is sourced from PubChem (CID 57057784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).