2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

C12H18F3N5O — CID 106771446

IUPAC2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-3-4-5-20(7-8(16)21)10-6-9(17-2)18-11(19-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyQVWKLMHDBBWWOB-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.63
Rot. Bonds7

About 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide

2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (PubChem CID 106771446) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
PubChem CID106771446
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-3-4-5-20(7-8(16)21)10-6-9(17-2)18-11(19-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,21)(H,17,18,19)
InChIKeyQVWKLMHDBBWWOB-UHFFFAOYSA-N
XLogP1.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide 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-methyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770293
2-[butyl-[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961548
2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80947162
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772027
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867
6-N-ethyl-4-N,4-N-dipropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770291
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
4-N,4-N,6-N-tripropyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770292
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N-ethylacetamide
CID 80961589
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The IUPAC name of 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide (CID 106771446) is 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is CCCCN(CC(N)=O)c1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
The InChIKey is QVWKLMHDBBWWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-3-4-5-20(7-8(16)21)10-6-9(17-2)18-11(19-10)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,21)(H,17,18,19).
What are the key properties of 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide?
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide has a molecular weight of 305.30 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 106771446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).