1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine

C9H10F3N3 — CID 143292396

IUPAC1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine
SMILESC=C(/N=c1\nc(C)ccn1C)C(F)(F)F
InChIInChI=1S/C9H10F3N3/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12/h4-5H,2H2,1,3H3/b14-8+
InChIKeyGMSCRGQWPVRSRA-RIYZIHGNSA-N
MW217.19 g/mol
LogP1.71
Rot. Bonds1

About 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine

1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine (PubChem CID 143292396) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine.

Molecular Properties

Compound Name1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine
PubChem CID143292396
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine
SMILESC=C(/N=c1\nc(C)ccn1C)C(F)(F)F
InChIInChI=1S/C9H10F3N3/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12/h4-5H,2H2,1,3H3/b14-8+
InChIKeyGMSCRGQWPVRSRA-RIYZIHGNSA-N
XLogP1.71
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine?
The IUPAC name of 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine (CID 143292396) is 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine.
What is the SMILES notation for 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine?
The canonical SMILES for 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine is C=C(/N=c1\nc(C)ccn1C)C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine?
The InChIKey is GMSCRGQWPVRSRA-RIYZIHGNSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-6-4-5-15(3)8(13-6)14-7(2)9(10,11)12/h4-5H,2H2,1,3H3/b14-8+.
What are the key properties of 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine?
1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine has a molecular weight of 217.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrimidin-2-imine is sourced from PubChem (CID 143292396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).