2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C13H17F3N4 — CID 118908038

IUPAC2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20)
InChIKeyRANKMCGOEJGEJE-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.42
Rot. Bonds4

About 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118908038) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118908038
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1
InChIInChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20)
InChIKeyRANKMCGOEJGEJE-UHFFFAOYSA-N
XLogP3.42
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118908038) is 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(NC2CCC2)nc1NC1CCC1.
What is the InChIKey of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is RANKMCGOEJGEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c14-13(15,16)10-7-17-12(19-9-5-2-6-9)20-11(10)18-8-3-1-4-8/h7-9H,1-6H2,(H2,17,18,19,20).
What are the key properties of 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 286.30 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(cyclobutyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118908038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).