N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine

C10H8F3N7 — CID 114786674

IUPACN-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
SMILESCNc1nc(-n2ccc(C(F)(F)F)n2)c2[nH]cnc2n1
InChIInChI=1S/C10H8F3N7/c1-14-9-17-7-6(15-4-16-7)8(18-9)20-3-2-5(19-20)10(11,12)13/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyBNALYVWYJFVLAB-UHFFFAOYSA-N
MW283.22 g/mol
LogP1.60
Rot. Bonds2

About N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine

N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine (PubChem CID 114786674) has the molecular formula C10H8F3N7 and a molecular weight of 283.22 g/mol. Its IUPAC name is N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
PubChem CID114786674
Molecular FormulaC10H8F3N7
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC NameN-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
SMILESCNc1nc(-n2ccc(C(F)(F)F)n2)c2[nH]cnc2n1
InChIInChI=1S/C10H8F3N7/c1-14-9-17-7-6(15-4-16-7)8(18-9)20-3-2-5(19-20)10(11,12)13/h2-4H,1H3,(H2,14,15,16,17,18)
InChIKeyBNALYVWYJFVLAB-UHFFFAOYSA-N
XLogP1.60
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
6-(3-methylpyrazol-1-yl)-7H-purin-2-amine
CID 114786706
5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 136984723
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
N,5-dimethyl-2-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80992808
4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridine
CID 141314942
5-fluoro-N-propyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80857272
N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine?
The IUPAC name of N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine (CID 114786674) is N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine is CNc1nc(-n2ccc(C(F)(F)F)n2)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine?
The InChIKey is BNALYVWYJFVLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N7/c1-14-9-17-7-6(15-4-16-7)8(18-9)20-3-2-5(19-20)10(11,12)13/h2-4H,1H3,(H2,14,15,16,17,18).
What are the key properties of N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine?
N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine has a molecular weight of 283.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine is sourced from PubChem (CID 114786674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).