N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine

C13H15F3N4O — CID 133347428

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc(C)c1CCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4O/c1-8-10(9(2)21-20-8)4-3-6-17-12-18-7-5-11(19-12)13(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyRMXHXPJAFRRDAH-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.14
Rot. Bonds5

About N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133347428) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133347428
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc(C)c1CCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H15F3N4O/c1-8-10(9(2)21-20-8)4-3-6-17-12-18-7-5-11(19-12)13(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19)
InChIKeyRMXHXPJAFRRDAH-UHFFFAOYSA-N
XLogP3.14
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
N-pent-4-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 103704497
N-hex-5-ynyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 113255994
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 79363335
N-[(4-methylthiadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 72841838
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
4,4-dimethyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]hexanoic acid
CID 65285293
4-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-8-fluoroquinolin-7-amine
CID 133347573
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133347428) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1noc(C)c1CCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RMXHXPJAFRRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-8-10(9(2)21-20-8)4-3-6-17-12-18-7-5-11(19-12)13(14,15)16/h5,7H,3-4,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 300.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133347428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).