N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C8H8F3N7 — CID 64584120

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1nn[nH]n1
InChIInChI=1S/C8H8F3N7/c1-4(6-15-17-18-16-6)13-7-12-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyAHFLRPZDQJFURC-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64584120) has the molecular formula C8H8F3N7 and a molecular weight of 259.20 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64584120
Molecular FormulaC8H8F3N7
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(Nc1nccc(C(F)(F)F)n1)c1nn[nH]n1
InChIInChI=1S/C8H8F3N7/c1-4(6-15-17-18-16-6)13-7-12-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H,12,13,14)(H,15,16,17,18)
InChIKeyAHFLRPZDQJFURC-UHFFFAOYSA-N
XLogP1.18
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 64584120) is N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(Nc1nccc(C(F)(F)F)n1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AHFLRPZDQJFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7/c1-4(6-15-17-18-16-6)13-7-12-3-2-5(14-7)8(9,10)11/h2-4H,1H3,(H,12,13,14)(H,15,16,17,18).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 259.20 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64584120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).