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

C13H21F3N4 — CID 80790417

IUPAC4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC(F)(F)F)c1CCC
InChIInChI=1S/C13H21F3N4/c1-4-6-10-11(17-7-5-2)18-9-19-12(10)20(3)8-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyLUWUSIXSVYNFPM-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.25
Rot. Bonds7

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

4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80790417) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80790417
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)CC(F)(F)F)c1CCC
InChIInChI=1S/C13H21F3N4/c1-4-6-10-11(17-7-5-2)18-9-19-12(10)20(3)8-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19)
InChIKeyLUWUSIXSVYNFPM-UHFFFAOYSA-N
XLogP3.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80790417) is 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(C)CC(F)(F)F)c1CCC.
What is the InChIKey of 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is LUWUSIXSVYNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-4-6-10-11(17-7-5-2)18-9-19-12(10)20(3)8-13(14,15)16/h9H,4-8H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-N,5-dipropyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80790417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).