N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H18F3N5O — CID 128979342

IUPACN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1ccnc1C(Nc1nccc(C(F)(F)F)n1)C1CCOCC1
InChIInChI=1S/C15H18F3N5O/c1-23-7-6-19-13(23)12(10-3-8-24-9-4-10)22-14-20-5-2-11(21-14)15(16,17)18/h2,5-7,10,12H,3-4,8-9H2,1H3,(H,20,21,22)
InChIKeyVYMWFARSNAKKTL-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.81
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 128979342) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID128979342
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCn1ccnc1C(Nc1nccc(C(F)(F)F)n1)C1CCOCC1
InChIInChI=1S/C15H18F3N5O/c1-23-7-6-19-13(23)12(10-3-8-24-9-4-10)22-14-20-5-2-11(21-14)15(16,17)18/h2,5-7,10,12H,3-4,8-9H2,1H3,(H,20,21,22)
InChIKeyVYMWFARSNAKKTL-UHFFFAOYSA-N
XLogP2.81
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 128979342) is N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cn1ccnc1C(Nc1nccc(C(F)(F)F)n1)C1CCOCC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is VYMWFARSNAKKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-23-7-6-19-13(23)12(10-3-8-24-9-4-10)22-14-20-5-2-11(21-14)15(16,17)18/h2,5-7,10,12H,3-4,8-9H2,1H3,(H,20,21,22).
What are the key properties of N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 341.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 128979342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).