2-methyl-5-propoxy-1,2-dihydropyrimidine

C8H14N2O — CID 176962570

IUPAC2-methyl-5-propoxy-1,2-dihydropyrimidine
SMILESCCCOC1=CNC(C)N=C1
InChIInChI=1S/C8H14N2O/c1-3-4-11-8-5-9-7(2)10-6-8/h5-7,9H,3-4H2,1-2H3
InChIKeyAXNKMCMTDGCBBT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.27
Rot. Bonds3

About 2-methyl-5-propoxy-1,2-dihydropyrimidine

2-methyl-5-propoxy-1,2-dihydropyrimidine (PubChem CID 176962570) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-5-propoxy-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-propoxy-1,2-dihydropyrimidine
PubChem CID176962570
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-5-propoxy-1,2-dihydropyrimidine
SMILESCCCOC1=CNC(C)N=C1
InChIInChI=1S/C8H14N2O/c1-3-4-11-8-5-9-7(2)10-6-8/h5-7,9H,3-4H2,1-2H3
InChIKeyAXNKMCMTDGCBBT-UHFFFAOYSA-N
XLogP1.27
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propoxy-1,2-dihydropyrimidine?
The IUPAC name of 2-methyl-5-propoxy-1,2-dihydropyrimidine (CID 176962570) is 2-methyl-5-propoxy-1,2-dihydropyrimidine.
What is the SMILES notation for 2-methyl-5-propoxy-1,2-dihydropyrimidine?
The canonical SMILES for 2-methyl-5-propoxy-1,2-dihydropyrimidine is CCCOC1=CNC(C)N=C1.
What is the InChIKey of 2-methyl-5-propoxy-1,2-dihydropyrimidine?
The InChIKey is AXNKMCMTDGCBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-11-8-5-9-7(2)10-6-8/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-propoxy-1,2-dihydropyrimidine?
2-methyl-5-propoxy-1,2-dihydropyrimidine has a molecular weight of 154.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propoxy-1,2-dihydropyrimidine is sourced from PubChem (CID 176962570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).