N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine

C12H11F3N8 — CID 10403961

IUPACN-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C12H11F3N8/c1-16-8-7-9(22-10(21-8)12(13,14)15)23(5-19-7)6-3-4-18-11(17-2)20-6/h3-5H,1-2H3,(H,16,21,22)(H,17,18,20)
InChIKeyJGMJZSOMCXGRET-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine

N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (PubChem CID 10403961) has the molecular formula C12H11F3N8 and a molecular weight of 324.27 g/mol. Its IUPAC name is N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
PubChem CID10403961
Molecular FormulaC12H11F3N8
Molecular Weight324.27 g/mol
Exact Mass324.11
IUPAC NameN-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C12H11F3N8/c1-16-8-7-9(22-10(21-8)12(13,14)15)23(5-19-7)6-3-4-18-11(17-2)20-6/h3-5H,1-2H3,(H,16,21,22)(H,17,18,20)
InChIKeyJGMJZSOMCXGRET-UHFFFAOYSA-N
XLogP1.71
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (CID 10403961) is N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is CNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The InChIKey is JGMJZSOMCXGRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N8/c1-16-8-7-9(22-10(21-8)12(13,14)15)23(5-19-7)6-3-4-18-11(17-2)20-6/h3-5H,1-2H3,(H,16,21,22)(H,17,18,20).
What are the key properties of N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine has a molecular weight of 324.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10403961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).