[4-(trifluoromethyl)pyrimidin-5-yl]methanamine

C6H6F3N3 — CID 74890018

IUPAC[4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-4(1-10)2-11-3-12-5/h2-3H,1,10H2
InChIKeySWCUZBYESAPCDH-UHFFFAOYSA-N
MW177.13 g/mol
LogP0.95
Rot. Bonds1

About [4-(trifluoromethyl)pyrimidin-5-yl]methanamine

[4-(trifluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 74890018) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is [4-(trifluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID74890018
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name[4-(trifluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1C(F)(F)F
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-4(1-10)2-11-3-12-5/h2-3H,1,10H2
InChIKeySWCUZBYESAPCDH-UHFFFAOYSA-N
XLogP0.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)pyrimidin-5-yl]methanamine (CID 74890018) is [4-(trifluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)pyrimidin-5-yl]methanamine is NCc1cncnc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is SWCUZBYESAPCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5-4(1-10)2-11-3-12-5/h2-3H,1,10H2.
What are the key properties of [4-(trifluoromethyl)pyrimidin-5-yl]methanamine?
[4-(trifluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 177.13 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 74890018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).