6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C13H17F3N6 — CID 68949401

IUPAC6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(-n2cccn2)nc(NCC(F)(F)F)c1CC
InChIInChI=1S/C13H17F3N6/c1-3-9-10(17-4-2)20-12(22-7-5-6-19-22)21-11(9)18-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyQXIDWLPYDPPZSF-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.63
Rot. Bonds6

About 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 68949401) has the molecular formula C13H17F3N6 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID68949401
Molecular FormulaC13H17F3N6
Molecular Weight314.31 g/mol
Exact Mass314.15
IUPAC Name6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(-n2cccn2)nc(NCC(F)(F)F)c1CC
InChIInChI=1S/C13H17F3N6/c1-3-9-10(17-4-2)20-12(22-7-5-6-19-22)21-11(9)18-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyQXIDWLPYDPPZSF-UHFFFAOYSA-N
XLogP2.63
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 68949401) is 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1nc(-n2cccn2)nc(NCC(F)(F)F)c1CC.
What is the InChIKey of 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is QXIDWLPYDPPZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6/c1-3-9-10(17-4-2)20-12(22-7-5-6-19-22)21-11(9)18-8-13(14,15)16/h5-7H,3-4,8H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 314.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-2-pyrazol-1-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 68949401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).