N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

C12H10F3N7O2S — CID 10361970

IUPACN-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C12H10F3N7O2S/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)25(2,23)24/h3-5H,1-2H3,(H,16,20,21)
InChIKeyWZCJAJTVQXPBIM-UHFFFAOYSA-N
MW373.32 g/mol
LogP1.07
Rot. Bonds3

About N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine

N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 10361970) has the molecular formula C12H10F3N7O2S and a molecular weight of 373.32 g/mol. Its IUPAC name is N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID10361970
Molecular FormulaC12H10F3N7O2S
Molecular Weight373.32 g/mol
Exact Mass373.06
IUPAC NameN-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C12H10F3N7O2S/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)25(2,23)24/h3-5H,1-2H3,(H,16,20,21)
InChIKeyWZCJAJTVQXPBIM-UHFFFAOYSA-N
XLogP1.07
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-9-[2-(ethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 9975994
N-cyclopropyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 9978245
N-methyl-9-(2-methylsulfanylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 9997392
9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10019190
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10042739
N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 10044293
9-(2-chloropyrimidin-4-yl)-N-ethyl-2-(trifluoromethyl)purin-6-amine
CID 10088834
N-cyclopropyl-9-(2-methoxypyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10247353
N-cyclopropyl-9-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10359568
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637
9-[2-(cyclopropylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10383218
N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
CID 10383686

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (CID 10361970) is N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is WZCJAJTVQXPBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7O2S/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)25(2,23)24/h3-5H,1-2H3,(H,16,20,21).
What are the key properties of N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 373.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-methylsulfonylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10361970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).