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

C14H17F3N8 — CID 69075847

IUPACN,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine
SMILESCN(C)c1ccnc(-n2cnc3cnc(C(F)(F)F)nc32)n1.CNC
InChIInChI=1S/C12H10F3N7.C2H7N/c1-21(2)8-3-4-16-11(19-8)22-6-18-7-5-17-10(12(13,14)15)20-9(7)22;1-3-2/h3-6H,1-2H3;3H,1-2H3
InChIKeyIOAXTDCSZCAXOI-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.53
Rot. Bonds2

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

N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine (PubChem CID 69075847) has the molecular formula C14H17F3N8 and a molecular weight of 354.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine
PubChem CID69075847
Molecular FormulaC14H17F3N8
Molecular Weight354.34 g/mol
Exact Mass354.15
IUPAC NameN,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine
SMILESCN(C)c1ccnc(-n2cnc3cnc(C(F)(F)F)nc32)n1.CNC
InChIInChI=1S/C12H10F3N7.C2H7N/c1-21(2)8-3-4-16-11(19-8)22-6-18-7-5-17-10(12(13,14)15)20-9(7)22;1-3-2/h3-6H,1-2H3;3H,1-2H3
InChIKeyIOAXTDCSZCAXOI-UHFFFAOYSA-N
XLogP1.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine (CID 69075847) is N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine is CN(C)c1ccnc(-n2cnc3cnc(C(F)(F)F)nc32)n1.CNC.
What is the InChIKey of N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine?
The InChIKey is IOAXTDCSZCAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7.C2H7N/c1-21(2)8-3-4-16-11(19-8)22-6-18-7-5-17-10(12(13,14)15)20-9(7)22;1-3-2/h3-6H,1-2H3;3H,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine?
N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine has a molecular weight of 354.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine is sourced from PubChem (CID 69075847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).