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

C12H19F3N4 — CID 80814914

IUPAC4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C12H19F3N4/c1-4-6-16-10-9(3)11(18-8-17-10)19(5-2)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyYXZYBTYTEBMWEF-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.00
Rot. Bonds6

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

4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814914) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814914
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(CC)CC(F)(F)F)c1C
InChIInChI=1S/C12H19F3N4/c1-4-6-16-10-9(3)11(18-8-17-10)19(5-2)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyYXZYBTYTEBMWEF-UHFFFAOYSA-N
XLogP3.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814914) is 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCNc1ncnc(N(CC)CC(F)(F)F)c1C.
What is the InChIKey of 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is YXZYBTYTEBMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-4-6-16-10-9(3)11(18-8-17-10)19(5-2)7-12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).