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

C15H15F3N8 — CID 10044293

IUPACN-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H15F3N8/c1-25(2)14-19-6-5-9(22-14)26-7-20-10-11(21-8-3-4-8)23-13(15(16,17)18)24-12(10)26/h5-8H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyUBNMZDMZTQOHFE-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.26
Rot. Bonds4

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

N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (PubChem CID 10044293) has the molecular formula C15H15F3N8 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
PubChem CID10044293
Molecular FormulaC15H15F3N8
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC NameN-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESCN(C)c1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C15H15F3N8/c1-25(2)14-19-6-5-9(22-14)26-7-20-10-11(21-8-3-4-8)23-13(15(16,17)18)24-12(10)26/h5-8H,3-4H2,1-2H3,(H,21,23,24)
InChIKeyUBNMZDMZTQOHFE-UHFFFAOYSA-N
XLogP2.26
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N2-[(1S)-1-(5-Fluoropyrimidin-2-yl)ethyl]-N4-(1-methyl-1H-imidazol-4-yl)pteridine-2,4-diamine
CID 68254533
2-chloro-9-propan-2-yl-N-pyrimidin-5-ylpurin-6-amine
CID 71517520
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
CID 71518533
2-N-(6-methylpyrazin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162650803
2-N-(4-methylpyrimidin-2-yl)-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 162658372
2-chloro-9-propan-2-yl-N-pyrimidin-2-ylpurin-6-amine
CID 71517518
2-chloro-9-propan-2-yl-N-pyrimidin-4-ylpurin-6-amine
CID 71517519
2-chloro-9-propan-2-yl-N-pyrazin-2-ylpurin-6-amine
CID 71517683
(2R)-2-[[9-propan-2-yl-6-(pyrimidin-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 71517861
(2S)-2-[[9-propan-2-yl-6-(pyrimidin-2-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518030
(2R)-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518033
(2S)-2-[[9-propan-2-yl-6-(pyrimidin-4-ylamino)purin-2-yl]amino]butan-1-ol
CID 71518034

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (CID 10044293) is N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is CN(C)c1nccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The InChIKey is UBNMZDMZTQOHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8/c1-25(2)14-19-6-5-9(22-14)26-7-20-10-11(21-8-3-4-8)23-13(15(16,17)18)24-12(10)26/h5-8H,3-4H2,1-2H3,(H,21,23,24).
What are the key properties of N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine has a molecular weight of 364.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-[2-(dimethylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10044293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).