1-methyl-5-(trifluoromethyl)pyrimidin-2-imine

C6H6F3N3 — CID 123370119

IUPAC1-methyl-5-(trifluoromethyl)pyrimidin-2-imine
SMILES[H]/N=c1\ncc(C(F)(F)F)cn1C
InChIInChI=1S/C6H6F3N3/c1-12-3-4(6(7,8)9)2-11-5(12)10/h2-3,10H,1H3/b10-5+
InChIKeyZABODYGQWTXDHK-BJMVGYQFSA-N
MW177.13 g/mol
LogP0.92
Rot. Bonds

About 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine

1-methyl-5-(trifluoromethyl)pyrimidin-2-imine (PubChem CID 123370119) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine.

Molecular Properties

Compound Name1-methyl-5-(trifluoromethyl)pyrimidin-2-imine
PubChem CID123370119
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name1-methyl-5-(trifluoromethyl)pyrimidin-2-imine
SMILES[H]/N=c1\ncc(C(F)(F)F)cn1C
InChIInChI=1S/C6H6F3N3/c1-12-3-4(6(7,8)9)2-11-5(12)10/h2-3,10H,1H3/b10-5+
InChIKeyZABODYGQWTXDHK-BJMVGYQFSA-N
XLogP0.92
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine?
The IUPAC name of 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine (CID 123370119) is 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine.
What is the SMILES notation for 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine?
The canonical SMILES for 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine is [H]/N=c1\ncc(C(F)(F)F)cn1C.
What is the InChIKey of 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine?
The InChIKey is ZABODYGQWTXDHK-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H6F3N3/c1-12-3-4(6(7,8)9)2-11-5(12)10/h2-3,10H,1H3/b10-5+.
What are the key properties of 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine?
1-methyl-5-(trifluoromethyl)pyrimidin-2-imine has a molecular weight of 177.13 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(trifluoromethyl)pyrimidin-2-imine is sourced from PubChem (CID 123370119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).