N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine

C6H8F3N3 — CID 166684462

IUPACN-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
SMILESCNC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H8F3N3/c1-10-5-11-3-2-4(12-5)6(7,8)9/h2-3,5,10,12H,1H3
InChIKeySLPSULIIPMULRZ-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.61
Rot. Bonds1

About N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine

N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine (PubChem CID 166684462) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
PubChem CID166684462
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC NameN-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
SMILESCNC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H8F3N3/c1-10-5-11-3-2-4(12-5)6(7,8)9/h2-3,5,10,12H,1H3
InChIKeySLPSULIIPMULRZ-UHFFFAOYSA-N
XLogP0.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The IUPAC name of N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine (CID 166684462) is N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine is CNC1N=CC=C(C(F)(F)F)N1.
What is the InChIKey of N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The InChIKey is SLPSULIIPMULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-10-5-11-3-2-4(12-5)6(7,8)9/h2-3,5,10,12H,1H3.
What are the key properties of N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine has a molecular weight of 179.15 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 166684462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).