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

C11H17F3N4 — CID 80955028

IUPAC4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-3-5-9-16-8(15)6-10(17-9)18(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H2,15,16,17)
InChIKeyKZFYOXBMNDOKKE-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.40
Rot. Bonds5

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

4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80955028) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80955028
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(CC)CC(F)(F)F)n1
InChIInChI=1S/C11H17F3N4/c1-3-5-9-16-8(15)6-10(17-9)18(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H2,15,16,17)
InChIKeyKZFYOXBMNDOKKE-UHFFFAOYSA-N
XLogP2.40
TPSA55.04 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-ethyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718090
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
2-propylpyrimidine-4,6-diamine
CID 67304918
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
4-N-(2,4-dimethylphenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954477
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80955028) is 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCCc1nc(N)cc(N(CC)CC(F)(F)F)n1.
What is the InChIKey of 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is KZFYOXBMNDOKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-3-5-9-16-8(15)6-10(17-9)18(4-2)7-11(12,13)14/h6H,3-5,7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 262.28 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80955028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).