9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine

C13H12F3N7O2 — CID 10155127

IUPAC9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1cnc(OC)nc1OC
InChIInChI=1S/C13H12F3N7O2/c1-17-8-7-9(21-11(20-8)13(14,15)16)23(5-19-7)6-4-18-12(25-3)22-10(6)24-2/h4-5H,1-3H3,(H,17,20,21)
InChIKeyYHSICINPSDWJLY-UHFFFAOYSA-N
MW355.28 g/mol
LogP1.68
Rot. Bonds4

About 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine

9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 10155127) has the molecular formula C13H12F3N7O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID10155127
Molecular FormulaC13H12F3N7O2
Molecular Weight355.28 g/mol
Exact Mass355.10
IUPAC Name9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1cnc(OC)nc1OC
InChIInChI=1S/C13H12F3N7O2/c1-17-8-7-9(21-11(20-8)13(14,15)16)23(5-19-7)6-4-18-12(25-3)22-10(6)24-2/h4-5H,1-3H3,(H,17,20,21)
InChIKeyYHSICINPSDWJLY-UHFFFAOYSA-N
XLogP1.68
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 10155127) is 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1cnc(OC)nc1OC.
What is the InChIKey of 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is YHSICINPSDWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7O2/c1-17-8-7-9(21-11(20-8)13(14,15)16)23(5-19-7)6-4-18-12(25-3)22-10(6)24-2/h4-5H,1-3H3,(H,17,20,21).
What are the key properties of 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 355.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethoxypyrimidin-5-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10155127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).