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

C6H10FN3 — CID 136655966

IUPAC5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=C(F)C(C)N1
InChIInChI=1S/C6H10FN3/c1-4-5(7)3-9-6(8-2)10-4/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyBVYOIIOSIXQLBS-UHFFFAOYSA-N
MW143.16 g/mol
LogP0.36
Rot. Bonds

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

5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (PubChem CID 136655966) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.

Molecular Properties

Compound Name5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
PubChem CID136655966
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine
SMILESC/N=C1\NC=C(F)C(C)N1
InChIInChI=1S/C6H10FN3/c1-4-5(7)3-9-6(8-2)10-4/h3-4H,1-2H3,(H2,8,9,10)
InChIKeyBVYOIIOSIXQLBS-UHFFFAOYSA-N
XLogP0.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 50.36
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,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The IUPAC name of 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine (CID 136655966) is 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine.
What is the SMILES notation for 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The canonical SMILES for 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is C/N=C1\NC=C(F)C(C)N1.
What is the InChIKey of 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
The InChIKey is BVYOIIOSIXQLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-4-5(7)3-9-6(8-2)10-4/h3-4H,1-2H3,(H2,8,9,10).
What are the key properties of 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine?
5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine has a molecular weight of 143.16 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,4-dimethyl-3,4-dihydro-1H-pyrimidin-2-imine is sourced from PubChem (CID 136655966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).