2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine

C5H6F3N3 — CID 162607238

IUPAC2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine
SMILESNC1CC=NC(C(F)(F)F)=N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h2-3H,1,9H2
InChIKeyIBCJPOJWWGBCIG-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.71
Rot. Bonds

About 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine

2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine (PubChem CID 162607238) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine
PubChem CID162607238
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine
SMILESNC1CC=NC(C(F)(F)F)=N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h2-3H,1,9H2
InChIKeyIBCJPOJWWGBCIG-UHFFFAOYSA-N
XLogP0.71
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine?
The IUPAC name of 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine (CID 162607238) is 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine is NC1CC=NC(C(F)(F)F)=N1.
What is the InChIKey of 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine?
The InChIKey is IBCJPOJWWGBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)4-10-2-1-3(9)11-4/h2-3H,1,9H2.
What are the key properties of 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine?
2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine has a molecular weight of 165.12 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5-dihydropyrimidin-4-amine is sourced from PubChem (CID 162607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).