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

C7H8ClF3N4 — CID 91150261

IUPAC6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCc1c(N)nc(NCC(F)(F)F)nc1Cl
InChIInChI=1S/C7H8ClF3N4/c1-3-4(8)14-6(15-5(3)12)13-2-7(9,10)11/h2H2,1H3,(H3,12,13,14,15)
InChIKeyAMKBBYLCMBAXAO-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.99
Rot. Bonds2

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

6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 91150261) has the molecular formula C7H8ClF3N4 and a molecular weight of 240.62 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID91150261
Molecular FormulaC7H8ClF3N4
Molecular Weight240.62 g/mol
Exact Mass240.04
IUPAC Name6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCc1c(N)nc(NCC(F)(F)F)nc1Cl
InChIInChI=1S/C7H8ClF3N4/c1-3-4(8)14-6(15-5(3)12)13-2-7(9,10)11/h2H2,1H3,(H3,12,13,14,15)
InChIKeyAMKBBYLCMBAXAO-UHFFFAOYSA-N
XLogP1.99
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 91150261) is 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is Cc1c(N)nc(NCC(F)(F)F)nc1Cl.
What is the InChIKey of 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is AMKBBYLCMBAXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4/c1-3-4(8)14-6(15-5(3)12)13-2-7(9,10)11/h2H2,1H3,(H3,12,13,14,15).
What are the key properties of 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 240.62 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91150261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).