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

C14H15F3N8 — CID 10360637

IUPAC9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1nccc(-n2cnc3c(N(C)C)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H15F3N8/c1-23(2)10-9-11(22-12(21-10)14(15,16)17)25(7-19-9)8-5-6-18-13(20-8)24(3)4/h5-7H,1-4H3
InChIKeyULZVTAVVVDKCNO-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.76
Rot. Bonds3

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

9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 10360637) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
PubChem CID10360637
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC Name9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1nccc(-n2cnc3c(N(C)C)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C14H15F3N8/c1-23(2)10-9-11(22-12(21-10)14(15,16)17)25(7-19-9)8-5-6-18-13(20-8)24(3)4/h5-7H,1-4H3
InChIKeyULZVTAVVVDKCNO-UHFFFAOYSA-N
XLogP1.76
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine (CID 10360637) is 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine is CN(C)c1nccc(-n2cnc3c(N(C)C)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is ULZVTAVVVDKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c1-23(2)10-9-11(22-12(21-10)14(15,16)17)25(7-19-9)8-5-6-18-13(20-8)24(3)4/h5-7H,1-4H3.
What are the key properties of 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine?
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 352.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10360637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).