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

C16H15F3N8 — CID 10248928

IUPACN-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(NC4CC4)n3)c2n1
InChIInChI=1S/C16H15F3N8/c17-16(18,19)14-25-12(22-8-1-2-8)11-13(26-14)27(7-21-11)10-5-6-20-15(24-10)23-9-3-4-9/h5-9H,1-4H2,(H,20,23,24)(H,22,25,26)
InChIKeyLAZKTDVEEDOAEY-UHFFFAOYSA-N
MW376.35 g/mol
LogP2.77
Rot. Bonds5

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

N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (PubChem CID 10248928) has the molecular formula C16H15F3N8 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound NameN-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
PubChem CID10248928
Molecular FormulaC16H15F3N8
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC NameN-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
SMILESFC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(NC4CC4)n3)c2n1
InChIInChI=1S/C16H15F3N8/c17-16(18,19)14-25-12(22-8-1-2-8)11-13(26-14)27(7-21-11)10-5-6-20-15(24-10)23-9-3-4-9/h5-9H,1-4H2,(H,20,23,24)(H,22,25,26)
InChIKeyLAZKTDVEEDOAEY-UHFFFAOYSA-N
XLogP2.77
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine (CID 10248928) is N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is FC(F)(F)c1nc(NC2CC2)c2ncn(-c3ccnc(NC4CC4)n3)c2n1.
What is the InChIKey of N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
The InChIKey is LAZKTDVEEDOAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N8/c17-16(18,19)14-25-12(22-8-1-2-8)11-13(26-14)27(7-21-11)10-5-6-20-15(24-10)23-9-3-4-9/h5-9H,1-4H2,(H,20,23,24)(H,22,25,26).
What are the key properties of N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine?
N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine has a molecular weight of 376.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-9-[2-(cyclopropylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10248928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).