4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C11H15F3N4 — CID 80815200

IUPAC4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H15F3N4/c1-2-15-10-16-6-5-9(17-10)18(8-3-4-8)7-11(12,13)14/h5-6,8H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyVTULVASTCAWWTC-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.44
Rot. Bonds5

About 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80815200) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80815200
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCCNc1nccc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C11H15F3N4/c1-2-15-10-16-6-5-9(17-10)18(8-3-4-8)7-11(12,13)14/h5-6,8H,2-4,7H2,1H3,(H,15,16,17)
InChIKeyVTULVASTCAWWTC-UHFFFAOYSA-N
XLogP2.44
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 80799495
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815269
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076
N-cyclopentyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80906590
4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
2-N-ethyl-4-N-methyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80832495
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
N-cyclopropyl-4-[(2-methylpropylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282660

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80815200) is 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CCNc1nccc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is VTULVASTCAWWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-2-15-10-16-6-5-9(17-10)18(8-3-4-8)7-11(12,13)14/h5-6,8H,2-4,7H2,1H3,(H,15,16,17).
What are the key properties of 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80815200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).