N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine

C11H7F3N6 — CID 164805836

IUPACN-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
SMILESFC(F)(F)c1cc(Nc2ncnc3nc[nH]c23)ccn1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)7-3-6(1-2-15-7)20-10-8-9(17-4-16-8)18-5-19-10/h1-5H,(H2,15,16,17,18,19,20)
InChIKeyLYCVSVRDQWMZCO-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.51
Rot. Bonds2

About N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine

N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine (PubChem CID 164805836) has the molecular formula C11H7F3N6 and a molecular weight of 280.21 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
PubChem CID164805836
Molecular FormulaC11H7F3N6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC NameN-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine
SMILESFC(F)(F)c1cc(Nc2ncnc3nc[nH]c23)ccn1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)7-3-6(1-2-15-7)20-10-8-9(17-4-16-8)18-5-19-10/h1-5H,(H2,15,16,17,18,19,20)
InChIKeyLYCVSVRDQWMZCO-UHFFFAOYSA-N
XLogP2.51
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-7H-purin-6-amine
CID 69242091
N-[3-chloro-4-(trifluoromethoxy)phenyl]-7H-purin-6-amine
CID 69241710
N-(3-chloro-4-methylphenyl)-7H-purin-6-amine
CID 2155036
4-methyl-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide;molecular hydrogen
CID 164905838
4-(7H-purin-6-ylamino)benzenesulfonic acid
CID 22147127
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
N-(2,6-dibromo-4-fluorophenyl)-7H-purin-6-amine
CID 69239287
N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-7H-purin-6-amine
CID 108778059
N-(2,3,4-trifluorophenyl)-7H-purin-6-amine
CID 69242349
1-N-(4-methylphenyl)-2-N-(7H-purin-6-yl)benzene-1,2-diamine
CID 108778162
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321893

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine (CID 164805836) is N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine is FC(F)(F)c1cc(Nc2ncnc3nc[nH]c23)ccn1.
What is the InChIKey of N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine?
The InChIKey is LYCVSVRDQWMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6/c12-11(13,14)7-3-6(1-2-15-7)20-10-8-9(17-4-16-8)18-5-19-10/h1-5H,(H2,15,16,17,18,19,20).
What are the key properties of N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine?
N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine has a molecular weight of 280.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-4-pyridinyl]-7H-purin-6-amine is sourced from PubChem (CID 164805836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).