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

C9H13F3N4 — CID 80785398

IUPAC6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C9H13F3N4/c1-5-7(13-3)15-6(2)16-8(5)14-4-9(10,11)12/h4H2,1-3H3,(H2,13,14,15,16)
InChIKeyFPWVEHUTQJNQSP-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.11
Rot. Bonds3

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

6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80785398) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80785398
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NCC(F)(F)F)c1C
InChIInChI=1S/C9H13F3N4/c1-5-7(13-3)15-6(2)16-8(5)14-4-9(10,11)12/h4H2,1-3H3,(H2,13,14,15,16)
InChIKeyFPWVEHUTQJNQSP-UHFFFAOYSA-N
XLogP2.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80785398) is 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CNc1nc(C)nc(NCC(F)(F)F)c1C.
What is the InChIKey of 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is FPWVEHUTQJNQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5-7(13-3)15-6(2)16-8(5)14-4-9(10,11)12/h4H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2,5-trimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80785398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).