2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine

C11H14F3N7 — CID 69281467

IUPAC2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine
SMILESCc1c(Nc2ncc(N)c(NCC(F)(F)F)n2)cnn1C
InChIInChI=1S/C11H14F3N7/c1-6-8(4-18-21(6)2)19-10-16-3-7(15)9(20-10)17-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H2,16,17,19,20)
InChIKeyMCJPHLMXZMVIIF-UHFFFAOYSA-N
MW301.28 g/mol
LogP1.82
Rot. Bonds4

About 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine

2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine (PubChem CID 69281467) has the molecular formula C11H14F3N7 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine
PubChem CID69281467
Molecular FormulaC11H14F3N7
Molecular Weight301.28 g/mol
Exact Mass301.13
IUPAC Name2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine
SMILESCc1c(Nc2ncc(N)c(NCC(F)(F)F)n2)cnn1C
InChIInChI=1S/C11H14F3N7/c1-6-8(4-18-21(6)2)19-10-16-3-7(15)9(20-10)17-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H2,16,17,19,20)
InChIKeyMCJPHLMXZMVIIF-UHFFFAOYSA-N
XLogP1.82
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine?
The IUPAC name of 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine (CID 69281467) is 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine.
What is the SMILES notation for 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine?
The canonical SMILES for 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine is Cc1c(Nc2ncc(N)c(NCC(F)(F)F)n2)cnn1C.
What is the InChIKey of 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine?
The InChIKey is MCJPHLMXZMVIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N7/c1-6-8(4-18-21(6)2)19-10-16-3-7(15)9(20-10)17-5-11(12,13)14/h3-4H,5,15H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine?
2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine has a molecular weight of 301.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,5-dimethylpyrazol-4-yl)-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,5-triamine is sourced from PubChem (CID 69281467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).