N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C7H12F3N3 — CID 130955626

IUPACN-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFC(F)(F)CCNC1=NCCCN1
InChIInChI=1S/C7H12F3N3/c8-7(9,10)2-5-13-6-11-3-1-4-12-6/h1-5H2,(H2,11,12,13)
InChIKeyKDBGXCLYXIFQFO-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.88
Rot. Bonds2

About N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine

N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 130955626) has the molecular formula C7H12F3N3 and a molecular weight of 195.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID130955626
Molecular FormulaC7H12F3N3
Molecular Weight195.19 g/mol
Exact Mass195.10
IUPAC NameN-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESFC(F)(F)CCNC1=NCCCN1
InChIInChI=1S/C7H12F3N3/c8-7(9,10)2-5-13-6-11-3-1-4-12-6/h1-5H2,(H2,11,12,13)
InChIKeyKDBGXCLYXIFQFO-UHFFFAOYSA-N
XLogP0.88
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 130955626) is N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is FC(F)(F)CCNC1=NCCCN1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is KDBGXCLYXIFQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3/c8-7(9,10)2-5-13-6-11-3-1-4-12-6/h1-5H2,(H2,11,12,13).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 195.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 130955626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).