2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

C11H16F3N3O — CID 82959220

IUPAC2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCCC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H16F3N3O/c1-3-5-15-9-7-10(17-8(2)16-9)18-6-4-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYRRUEDLVIIFJDS-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.94
Rot. Bonds6

About 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (PubChem CID 82959220) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
PubChem CID82959220
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCCC(F)(F)F)nc(C)n1
InChIInChI=1S/C11H16F3N3O/c1-3-5-15-9-7-10(17-8(2)16-9)18-6-4-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyYRRUEDLVIIFJDS-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine 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

2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-(2-cyclopropylethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 114158202
N',N'-dimethyl-N-(2-methyl-6-propoxypyrimidin-4-yl)propane-1,3-diamine
CID 82454010
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-(3,3-dimethylbutoxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720042
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
6-(2-aminoethoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 121206106
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
N-propyl-6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719676
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
6-(furan-2-ylmethoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80858748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (CID 82959220) is 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is CCCNc1cc(OCCC(F)(F)F)nc(C)n1.
What is the InChIKey of 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The InChIKey is YRRUEDLVIIFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-5-15-9-7-10(17-8(2)16-9)18-6-4-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82959220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).