5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine

C8H14FN3 — CID 137444910

IUPAC5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESCCCC1N/C(=N/C)NC=C1F
InChIInChI=1S/C8H14FN3/c1-3-4-7-6(9)5-11-8(10-2)12-7/h5,7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyYTDMEDMIPJFLMV-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.14
Rot. Bonds2

About 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine

5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 137444910) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID137444910
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESCCCC1N/C(=N/C)NC=C1F
InChIInChI=1S/C8H14FN3/c1-3-4-7-6(9)5-11-8(10-2)12-7/h5,7H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyYTDMEDMIPJFLMV-UHFFFAOYSA-N
XLogP1.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 137444910) is 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine is CCCC1N/C(=N/C)NC=C1F.
What is the InChIKey of 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is YTDMEDMIPJFLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-3-4-7-6(9)5-11-8(10-2)12-7/h5,7H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine?
5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 171.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-propyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 137444910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).