N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

C9H12F3N3 — CID 60732408

IUPACN-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-3-6(2)14-8-13-5-4-7(15-8)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyRYYHTZHZOLUXFV-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.71
Rot. Bonds3

About N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine

N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60732408) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60732408
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC(C)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3/c1-3-6(2)14-8-13-5-4-7(15-8)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyRYYHTZHZOLUXFV-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-4-(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

(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine (CID 60732408) is N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is CCC(C)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RYYHTZHZOLUXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-3-6(2)14-8-13-5-4-7(15-8)9(10,11)12/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine?
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 219.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60732408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).