5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine

C6H7F3N4 — CID 53427125

IUPAC5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNCc1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,1,10H2,(H2,11,12,13)
InChIKeyFVOPNTGTHPIXDT-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.54
Rot. Bonds1

About 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine

5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 53427125) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID53427125
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNCc1cnc(C(F)(F)F)nc1N
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,1,10H2,(H2,11,12,13)
InChIKeyFVOPNTGTHPIXDT-UHFFFAOYSA-N
XLogP0.54
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 53427125) is 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine is NCc1cnc(C(F)(F)F)nc1N.
What is the InChIKey of 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FVOPNTGTHPIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)5-12-2-3(1-10)4(11)13-5/h2H,1,10H2,(H2,11,12,13).
What are the key properties of 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine?
5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 192.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 53427125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).