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

C13H13F3N8 — CID 11724669

IUPAC9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N(C)C)n1
InChIInChI=1S/C13H13F3N8/c1-17-9-8-10(22-11(21-9)13(14,15)16)24(6-19-8)7-4-5-18-12(20-7)23(2)3/h4-6H,1-3H3,(H,17,21,22)
InChIKeyNXIJFTWXOLKION-UHFFFAOYSA-N
MW338.30 g/mol
LogP1.73
Rot. Bonds3

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

9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 11724669) has the molecular formula C13H13F3N8 and a molecular weight of 338.30 g/mol. Its IUPAC name is 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID11724669
Molecular FormulaC13H13F3N8
Molecular Weight338.30 g/mol
Exact Mass338.12
IUPAC Name9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N(C)C)n1
InChIInChI=1S/C13H13F3N8/c1-17-9-8-10(22-11(21-9)13(14,15)16)24(6-19-8)7-4-5-18-12(20-7)23(2)3/h4-6H,1-3H3,(H,17,21,22)
InChIKeyNXIJFTWXOLKION-UHFFFAOYSA-N
XLogP1.73
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 11724669) is 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is CNc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(N(C)C)n1.
What is the InChIKey of 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is NXIJFTWXOLKION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N8/c1-17-9-8-10(22-11(21-9)13(14,15)16)24(6-19-8)7-4-5-18-12(20-7)23(2)3/h4-6H,1-3H3,(H,17,21,22).
What are the key properties of 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 338.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 11724669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).