4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3 — CID 106659304

IUPAC4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C10H14F3N3/c1-3-4-5-7-6-8(10(11,12)13)16-9(14-2)15-7/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyWTTDBHBHOBXITG-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.88
Rot. Bonds4

About 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine

4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106659304) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106659304
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCCc1cc(C(F)(F)F)nc(NC)n1
InChIInChI=1S/C10H14F3N3/c1-3-4-5-7-6-8(10(11,12)13)16-9(14-2)15-7/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyWTTDBHBHOBXITG-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-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-[4-butyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 67309099
2-[butyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564384
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
2-N-methyl-4-N-pentan-3-yl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563840
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 102998866
4-N-[3-(diethylamino)propyl]-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563903
2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
N-methyl-4-(1-methylimidazol-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563336
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 164627594

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 106659304) is 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCCc1cc(C(F)(F)F)nc(NC)n1.
What is the InChIKey of 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WTTDBHBHOBXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-3-4-5-7-6-8(10(11,12)13)16-9(14-2)15-7/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 233.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106659304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).