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

C11H17F3N4 — CID 80791254

IUPAC6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC(F)(F)F)c1CC
InChIInChI=1S/C11H17F3N4/c1-4-8-9(15-5-2)16-7-17-10(8)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyVHESTVORQFKTLO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.47
Rot. Bonds5

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

6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80791254) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80791254
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC(F)(F)F)c1CC
InChIInChI=1S/C11H17F3N4/c1-4-8-9(15-5-2)16-7-17-10(8)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyVHESTVORQFKTLO-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80791254) is 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1ncnc(N(C)CC(F)(F)F)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is VHESTVORQFKTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-4-8-9(15-5-2)16-7-17-10(8)18(3)6-11(12,13)14/h7H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80791254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).