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

C13H13F3N8 — CID 10042739

IUPAC9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCCNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C13H13F3N8/c1-3-18-12-19-5-4-7(21-12)24-6-20-8-9(17-2)22-11(13(14,15)16)23-10(8)24/h4-6H,3H2,1-2H3,(H,17,22,23)(H,18,19,21)
InChIKeyUHMLWVOVRWCPAE-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.10
Rot. Bonds4

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

9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (PubChem CID 10042739) has the molecular formula C13H13F3N8 and a molecular weight of 338.30 g/mol. Its IUPAC name is 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.

Molecular Properties

Compound Name9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
PubChem CID10042739
Molecular FormulaC13H13F3N8
Molecular Weight338.30 g/mol
Exact Mass338.12
IUPAC Name9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
SMILESCCNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1
InChIInChI=1S/C13H13F3N8/c1-3-18-12-19-5-4-7(21-12)24-6-20-8-9(17-2)22-11(13(14,15)16)23-10(8)24/h4-6H,3H2,1-2H3,(H,17,22,23)(H,18,19,21)
InChIKeyUHMLWVOVRWCPAE-UHFFFAOYSA-N
XLogP2.10
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The IUPAC name of 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine (CID 10042739) is 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine.
What is the SMILES notation for 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The canonical SMILES for 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is CCNc1nccc(-n2cnc3c(NC)nc(C(F)(F)F)nc32)n1.
What is the InChIKey of 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
The InChIKey is UHMLWVOVRWCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N8/c1-3-18-12-19-5-4-7(21-12)24-6-20-8-9(17-2)22-11(13(14,15)16)23-10(8)24/h4-6H,3H2,1-2H3,(H,17,22,23)(H,18,19,21).
What are the key properties of 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine?
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine has a molecular weight of 338.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine is sourced from PubChem (CID 10042739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).