6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H15F3N4 — CID 110430884

IUPAC6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C16H15F3N4/c1-10-9-12-13(20-8-7-11-5-3-2-4-6-11)22-15(16(17,18)19)23-14(12)21-10/h2-6,9H,7-8H2,1H3,(H2,20,21,22,23)
InChIKeyOXHSIERDFNQICN-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.94
Rot. Bonds4

About 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430884) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430884
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C16H15F3N4/c1-10-9-12-13(20-8-7-11-5-3-2-4-6-11)22-15(16(17,18)19)23-14(12)21-10/h2-6,9H,7-8H2,1H3,(H2,20,21,22,23)
InChIKeyOXHSIERDFNQICN-UHFFFAOYSA-N
XLogP3.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-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-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 110430317
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070
N-[(2-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431121
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
3-hydroxy-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 110430716
3-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430753
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430777
3-N,3-N-dimethyl-1-N-[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]benzene-1,3-diamine
CID 110431058
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431954
4-methyl-2-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430911
2-tert-butyl-N-(4-phenylbutyl)quinazolin-4-amine
CID 69232334

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430884) is 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3ccccc3)nc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OXHSIERDFNQICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-10-9-12-13(20-8-7-11-5-3-2-4-6-11)22-15(16(17,18)19)23-14(12)21-10/h2-6,9H,7-8H2,1H3,(H2,20,21,22,23).
What are the key properties of 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 320.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenylethyl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).