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

C12H10F3N7OS — CID 10383686

IUPACN-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)=O)n1
InChIInChI=1S/C12H10F3N7OS/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)24(2)23/h3-5H,1-2H3,(H,16,20,21)
InChIKeyJZWMMKBJISBKPY-UHFFFAOYSA-N
MW357.32 g/mol
LogP1.40
Rot. Bonds3

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

N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (PubChem CID 10383686) has the molecular formula C12H10F3N7OS and a molecular weight of 357.32 g/mol. Its IUPAC name is N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
PubChem CID10383686
Molecular FormulaC12H10F3N7OS
Molecular Weight357.32 g/mol
Exact Mass357.06
IUPAC NameN-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)=O)n1
InChIInChI=1S/C12H10F3N7OS/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)24(2)23/h3-5H,1-2H3,(H,16,20,21)
InChIKeyJZWMMKBJISBKPY-UHFFFAOYSA-N
XLogP1.40
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-9-propan-2-yl-N-pyrimidin-2-ylpurin-6-amine
CID 71517518
2-chloro-9-propan-2-yl-N-pyrimidin-4-ylpurin-6-amine
CID 71517519
2-N-pyrimidin-4-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162674423
2-N-pyrimidin-2-yl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162668060
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine (CID 10383686) is N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(S(C)=O)n1.
What is the InChIKey of N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
The InChIKey is JZWMMKBJISBKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7OS/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)24(2)23/h3-5H,1-2H3,(H,16,20,21).
What are the key properties of N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine?
N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine has a molecular weight of 357.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-methylsulfinylpyrimidin-4-yl)-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10383686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).