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

C12H10F3N7O — CID 10019190

IUPAC9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(OC)n1
InChIInChI=1S/C12H10F3N7O/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)23-2/h3-5H,1-2H3,(H,16,20,21)
InChIKeyVDQLGPMWSILBSR-UHFFFAOYSA-N
MW325.25 g/mol
LogP1.67
Rot. Bonds3

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

9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 10019190) has the molecular formula C12H10F3N7O and a molecular weight of 325.25 g/mol. Its IUPAC name is 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID10019190
Molecular FormulaC12H10F3N7O
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC Name9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(OC)n1
InChIInChI=1S/C12H10F3N7O/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)23-2/h3-5H,1-2H3,(H,16,20,21)
InChIKeyVDQLGPMWSILBSR-UHFFFAOYSA-N
XLogP1.67
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 10019190) is 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(OC)n1.
What is the InChIKey of 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is VDQLGPMWSILBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7O/c1-16-8-7-9(21-10(20-8)12(13,14)15)22(5-18-7)6-3-4-17-11(19-6)23-2/h3-5H,1-2H3,(H,16,20,21).
What are the key properties of 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 325.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxypyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10019190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).