4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C9H13F3N4 — CID 80791741

IUPAC4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C9H13F3N4/c1-6-7(13-2)14-5-15-8(6)16(3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14,15)
InChIKeyCUPGLRWASOQTHN-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.83
Rot. Bonds3

About 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80791741) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80791741
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C9H13F3N4/c1-6-7(13-2)14-5-15-8(6)16(3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14,15)
InChIKeyCUPGLRWASOQTHN-UHFFFAOYSA-N
XLogP1.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80791741) is 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CNc1ncnc(N(C)CC(F)(F)F)c1C.
What is the InChIKey of 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is CUPGLRWASOQTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-6-7(13-2)14-5-15-8(6)16(3)4-9(10,11)12/h5H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80791741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).