6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C13H13F3N6 — CID 110430777

IUPAC6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3nccn3C)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C13H13F3N6/c1-7-5-8-10(18-6-9-17-3-4-22(9)2)20-12(13(14,15)16)21-11(8)19-7/h3-5H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUXFFLJLQJYBPMA-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.63
Rot. Bonds3

About 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430777) has the molecular formula C13H13F3N6 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430777
Molecular FormulaC13H13F3N6
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCc3nccn3C)nc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C13H13F3N6/c1-7-5-8-10(18-6-9-17-3-4-22(9)2)20-12(13(14,15)16)21-11(8)19-7/h3-5H,6H2,1-2H3,(H2,18,19,20,21)
InChIKeyUXFFLJLQJYBPMA-UHFFFAOYSA-N
XLogP2.63
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-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

N-[(2-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431121
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431070
6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110430499
5-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 110430697
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
2-N-ethyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718474
6-hydrazinyl-2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80913792
5-bromo-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 104924181
3-[[6-methyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenol
CID 110430753
N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63295527

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430777) is 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCc3nccn3C)nc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UXFFLJLQJYBPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6/c1-7-5-8-10(18-6-9-17-3-4-22(9)2)20-12(13(14,15)16)21-11(8)19-7/h3-5H,6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 310.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).